4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine

C73H80ClF10N15O2 — CID 157472919

IUPAC4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2cc(C(C)(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2Cl)nc(N)n1.CCc1cc(-c2cc(C)ccc2F)nc(N)n1
InChIInChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C13H11ClF3N3.C13H14FN3/c1-6-12-10-14(20-16(18)19-12)13-9-11(17(2,3)4)7-8-15(13)21-5;1-5-12-9-14(19-16(17)18-12)13-8-11(10(2)3)6-7-15(13)20-4;1-2-8-6-11(23-12(21)22-8)9-5-7(13(15,16)17)3-4-10(9)14(18,19)20;1-2-8-6-11(20-12(18)19-8)9-5-7(13(15,16)17)3-4-10(9)14;1-3-9-7-12(17-13(15)16-9)10-6-8(2)4-5-11(10)14/h7-10H,6H2,1-5H3,(H2,18,19,20);6-10H,5H2,1-4H3,(H2,17,18,19);3-6H,2H2,1H3,(H2,21,22,23);3-6H,2H2,1H3,(H2,18,19,20);4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyBVGHAIIENOGEEC-UHFFFAOYSA-N
MW1424.98 g/mol
LogP18.04
Rot. Bonds13

About 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine

4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 157472919) has the molecular formula C73H80ClF10N15O2 and a molecular weight of 1424.98 g/mol. Its IUPAC name is 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID157472919
Molecular FormulaC73H80ClF10N15O2
Molecular Weight1424.98 g/mol
Exact Mass1423.61
IUPAC Name4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2cc(C(C)(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2Cl)nc(N)n1.CCc1cc(-c2cc(C)ccc2F)nc(N)n1
InChIInChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C13H11ClF3N3.C13H14FN3/c1-6-12-10-14(20-16(18)19-12)13-9-11(17(2,3)4)7-8-15(13)21-5;1-5-12-9-14(19-16(17)18-12)13-8-11(10(2)3)6-7-15(13)20-4;1-2-8-6-11(23-12(21)22-8)9-5-7(13(15,16)17)3-4-10(9)14(18,19)20;1-2-8-6-11(20-12(18)19-8)9-5-7(13(15,16)17)3-4-10(9)14;1-3-9-7-12(17-13(15)16-9)10-6-8(2)4-5-11(10)14/h7-10H,6H2,1-5H3,(H2,18,19,20);6-10H,5H2,1-4H3,(H2,17,18,19);3-6H,2H2,1H3,(H2,21,22,23);3-6H,2H2,1H3,(H2,18,19,20);4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyBVGHAIIENOGEEC-UHFFFAOYSA-N
XLogP18.04
TPSA277.46 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001424.98
LogP ≤ 518.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine with MolForge

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Related Compounds

4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 157068955
2-(4-Chloro-2-methoxyphenyl)-6-propan-2-ylpyridine;bis(2-(4-chlorophenyl)-3-fluoro-6-propan-2-ylpyridine);2-(2-chlorophenyl)-6-propan-2-ylpyridine;2-[4-chloro-3-(trifluoromethyl)phenyl]-6-propan-2-ylpyridine;2-(3,4-dimethylphenyl)-6-propan-2-ylpyridine;2-(4-methoxyphenyl)-6-propan-2-ylpyridine;2-(4-methylphenyl)-6-propan-2-ylpyridine
CID 157075040
4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157488008
3-(2-Amino-6-ethylpyrimidin-4-yl)-4-fluorobenzonitrile;4-(2-chloro-5-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(2,5-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157644721
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157658692
4-[(4-Chloro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1,3-dimethoxypropan-2-yloxy)-2,5-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrimidine;4-[(2,4-dimethylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-6-[(4-methoxy-2-methylphenyl)methyl]-2,5-dimethylpyrimidine
CID 157886344
4-(4-Chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(2,2-dimethylpropyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 158191294
tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158402779
4-(4-Chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 158538763
4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 158961874
4-(3-Chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 159147124
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 159246077

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine (CID 157472919) is 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine is CCc1cc(-c2cc(C(C)(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(C)C)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)nc(N)n1.CCc1cc(-c2cc(C(F)(F)F)ccc2Cl)nc(N)n1.CCc1cc(-c2cc(C)ccc2F)nc(N)n1.
What is the InChIKey of 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is BVGHAIIENOGEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C16H21N3O.C14H11F6N3.C13H11ClF3N3.C13H14FN3/c1-6-12-10-14(20-16(18)19-12)13-9-11(17(2,3)4)7-8-15(13)21-5;1-5-12-9-14(19-16(17)18-12)13-8-11(10(2)3)6-7-15(13)20-4;1-2-8-6-11(23-12(21)22-8)9-5-7(13(15,16)17)3-4-10(9)14(18,19)20;1-2-8-6-11(20-12(18)19-8)9-5-7(13(15,16)17)3-4-10(9)14;1-3-9-7-12(17-13(15)16-9)10-6-8(2)4-5-11(10)14/h7-10H,6H2,1-5H3,(H2,18,19,20);6-10H,5H2,1-4H3,(H2,17,18,19);3-6H,2H2,1H3,(H2,21,22,23);3-6H,2H2,1H3,(H2,18,19,20);4-7H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine?
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 1424.98 g/mol, XLogP of 18.04, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 157472919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).