4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine

C64H65Cl2F5N18 — CID 158999649

IUPAC4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine
SMILESCCc1cc(-c2ccc(Cl)c(F)c2)nc(N)n1.CCc1cc(-c2cccc(C)c2C)nc(N)n1.CCc1cc(-c2cccc(Cl)c2F)nc(N)n1.CCc1cc(-c2ccccc2C(F)(F)F)nc(N)n1.CNc1cc(-c2cccc3c2cnn3C)nc(N)n1
InChIInChI=1S/C14H17N3.C13H12F3N3.C13H14N6.2C12H11ClFN3/c1-4-11-8-13(17-14(15)16-11)12-7-5-6-9(2)10(12)3;1-2-8-7-11(19-12(17)18-8)9-5-3-4-6-10(9)13(14,15)16;1-15-12-6-10(17-13(14)18-12)8-4-3-5-11-9(8)7-16-19(11)2;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14/h5-8H,4H2,1-3H3,(H2,15,16,17);3-7H,2H2,1H3,(H2,17,18,19);3-7H,1-2H3,(H3,14,15,17,18);2*3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyJRELPNURDTWSMQ-UHFFFAOYSA-N
MW1252.25 g/mol
LogP14.03
Rot. Bonds10

About 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine

4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 158999649) has the molecular formula C64H65Cl2F5N18 and a molecular weight of 1252.25 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine
PubChem CID158999649
Molecular FormulaC64H65Cl2F5N18
Molecular Weight1252.25 g/mol
Exact Mass1250.49
IUPAC Name4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine
SMILESCCc1cc(-c2ccc(Cl)c(F)c2)nc(N)n1.CCc1cc(-c2cccc(C)c2C)nc(N)n1.CCc1cc(-c2cccc(Cl)c2F)nc(N)n1.CCc1cc(-c2ccccc2C(F)(F)F)nc(N)n1.CNc1cc(-c2cccc3c2cnn3C)nc(N)n1
InChIInChI=1S/C14H17N3.C13H12F3N3.C13H14N6.2C12H11ClFN3/c1-4-11-8-13(17-14(15)16-11)12-7-5-6-9(2)10(12)3;1-2-8-7-11(19-12(17)18-8)9-5-3-4-6-10(9)13(14,15)16;1-15-12-6-10(17-13(14)18-12)8-4-3-5-11-9(8)7-16-19(11)2;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14/h5-8H,4H2,1-3H3,(H2,15,16,17);3-7H,2H2,1H3,(H2,17,18,19);3-7H,1-2H3,(H3,14,15,17,18);2*3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyJRELPNURDTWSMQ-UHFFFAOYSA-N
XLogP14.03
TPSA288.85 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001252.25
LogP ≤ 514.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-chloro-N-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-2-[(3-methylquinolin-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118489003
6-chloro-N-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-2-[(5-methylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118489004
3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137352714
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353218
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-methyl-5-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353270
3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-(5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353297
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353326
3-(7-chloro-6-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 137353333
5-(3-chloro-5-fluoro-2-pyridinyl)-3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 142488503
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 142885716
3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145755948
3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145755967

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine (CID 158999649) is 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine is CCc1cc(-c2ccc(Cl)c(F)c2)nc(N)n1.CCc1cc(-c2cccc(C)c2C)nc(N)n1.CCc1cc(-c2cccc(Cl)c2F)nc(N)n1.CCc1cc(-c2ccccc2C(F)(F)F)nc(N)n1.CNc1cc(-c2cccc3c2cnn3C)nc(N)n1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is JRELPNURDTWSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.C13H12F3N3.C13H14N6.2C12H11ClFN3/c1-4-11-8-13(17-14(15)16-11)12-7-5-6-9(2)10(12)3;1-2-8-7-11(19-12(17)18-8)9-5-3-4-6-10(9)13(14,15)16;1-15-12-6-10(17-13(14)18-12)8-4-3-5-11-9(8)7-16-19(11)2;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14/h5-8H,4H2,1-3H3,(H2,15,16,17);3-7H,2H2,1H3,(H2,17,18,19);3-7H,1-2H3,(H3,14,15,17,18);2*3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine?
4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 1252.25 g/mol, XLogP of 14.03, 10 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-N-methyl-6-(1-methylindazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158999649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).