5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C53H59ClF6N16O — CID 160819365

IUPAC5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1.CCCc1nc(N)nc(N)c1-c1ccc(C(F)(F)F)cc1.CCc1nc(N)nc(N)c1-c1ccc(C(F)(F)F)cc1.CCc1nc(N)nc(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C14H15F3N4.C13H15ClN4.C13H13F3N4.C13H16N4O/c1-2-3-10-11(12(18)21-13(19)20-10)8-4-6-9(7-5-8)14(15,16)17;1-7(2)11-10(12(15)18-13(16)17-11)8-3-5-9(14)6-4-8;1-2-9-10(11(17)20-12(18)19-9)7-3-5-8(6-4-7)13(14,15)16;1-3-10-11(12(14)17-13(15)16-10)8-4-6-9(18-2)7-5-8/h4-7H,2-3H2,1H3,(H4,18,19,20,21);3-7H,1-2H3,(H4,15,16,17,18);3-6H,2H2,1H3,(H4,17,18,19,20);4-7H,3H2,1-2H3,(H4,14,15,16,17)
InChIKeySFIHEKXRPIUWFW-UHFFFAOYSA-N
MW1085.61 g/mol
LogP11.13
Rot. Bonds10

About 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 160819365) has the molecular formula C53H59ClF6N16O and a molecular weight of 1085.61 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID160819365
Molecular FormulaC53H59ClF6N16O
Molecular Weight1085.61 g/mol
Exact Mass1084.47
IUPAC Name5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1.CCCc1nc(N)nc(N)c1-c1ccc(C(F)(F)F)cc1.CCc1nc(N)nc(N)c1-c1ccc(C(F)(F)F)cc1.CCc1nc(N)nc(N)c1-c1ccc(OC)cc1
InChIInChI=1S/C14H15F3N4.C13H15ClN4.C13H13F3N4.C13H16N4O/c1-2-3-10-11(12(18)21-13(19)20-10)8-4-6-9(7-5-8)14(15,16)17;1-7(2)11-10(12(15)18-13(16)17-11)8-3-5-9(14)6-4-8;1-2-9-10(11(17)20-12(18)19-9)7-3-5-8(6-4-7)13(14,15)16;1-3-10-11(12(14)17-13(15)16-10)8-4-6-9(18-2)7-5-8/h4-7H,2-3H2,1H3,(H4,18,19,20,21);3-7H,1-2H3,(H4,15,16,17,18);3-6H,2H2,1H3,(H4,17,18,19,20);4-7H,3H2,1-2H3,(H4,14,15,16,17)
InChIKeySFIHEKXRPIUWFW-UHFFFAOYSA-N
XLogP11.13
TPSA320.51 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001085.61
LogP ≤ 511.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289
4-aminobenzenesulfonamide;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 70020180
methyl 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropanoate
CID 24670032
5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine
CID 24670027
5-[4-chloro-3-[(4-chlorophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine
CID 134112066
4-(2,4-diamino-6-ethylpyrimidin-5-yl)benzaldehyde
CID 86061883
6-ethyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine
CID 134104197
5-[3-[4-(4-chlorophenyl)phenoxy]propoxy]-6-ethylpyrimidine-2,4-diamine
CID 12803793
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 160819365) is 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1.CCCc1nc(N)nc(N)c1-c1ccc(C(F)(F)F)cc1.CCc1nc(N)nc(N)c1-c1ccc(C(F)(F)F)cc1.CCc1nc(N)nc(N)c1-c1ccc(OC)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is SFIHEKXRPIUWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4.C13H15ClN4.C13H13F3N4.C13H16N4O/c1-2-3-10-11(12(18)21-13(19)20-10)8-4-6-9(7-5-8)14(15,16)17;1-7(2)11-10(12(15)18-13(16)17-11)8-3-5-9(14)6-4-8;1-2-9-10(11(17)20-12(18)19-9)7-3-5-8(6-4-7)13(14,15)16;1-3-10-11(12(14)17-13(15)16-10)8-4-6-9(18-2)7-5-8/h4-7H,2-3H2,1H3,(H4,18,19,20,21);3-7H,1-2H3,(H4,15,16,17,18);3-6H,2H2,1H3,(H4,17,18,19,20);4-7H,3H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 1085.61 g/mol, XLogP of 11.13, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-propan-2-ylpyrimidine-2,4-diamine;6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-propyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160819365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).