6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine — IUPAC name, SMILES, InChIKey & properties

Name: 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 159702911) has the molecular formula C75H77Cl2F2N21O and a molecular weight of 1397.49 g/mol. Its IUPAC name is 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name	6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID	159702911
Molecular Formula	C75H77Cl2F2N21O
Molecular Weight	1397.49 g/mol
Exact Mass	1395.60
IUPAC Name	6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILES	CNc1cc(-c2c[nH]c3ccccc23)nc(N)n1.CNc1cc(-c2ccnc(OC)c2Cl)nc(N)n1.Cc1cccc(-c2cc(CCCc3ccccc3)nc(N)n2)c1C.Nc1nc(NCC(F)F)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)n1
InChI	InChI=1S/C21H23N3.C18H18N4.C13H13N5.C12H11ClF2N4.C11H12ClN5O/c1-15-8-6-13-19(16(15)2)20-14-18(23-21(22)24-20)12-7-11-17-9-4-3-5-10-17;19-18-21-16(15-9-5-2-6-10-15)13-17(22-18)20-12-11-14-7-3-1-4-8-14;1-15-12-6-11(17-13(14)18-12)9-7-16-10-5-3-2-4-8(9)10;13-8-3-1-2-7(4-8)9-5-11(17-6-10(14)15)19-12(16)18-9;1-14-8-5-7(16-11(13)17-8)6-3-4-15-10(18-2)9(6)12/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H2,22,23,24);1-10,13H,11-12H2,(H3,19,20,21,22);2-7,16H,1H3,(H3,14,15,17,18);1-5,10H,6H2,(H3,16,17,18,19);3-5H,1-2H3,(H3,13,14,16,17)
InChIKey	MXVUWAKFHFRZRU-UHFFFAOYSA-N
XLogP	15.03
TPSA	345.03 Å²
H-Bond Donors	10
H-Bond Acceptors	21
Rotatable Bonds	19
Heavy Atoms	101
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1397.49
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Analyze 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?

The IUPAC name of 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 159702911) is 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is CNc1cc(-c2c[nH]c3ccccc23)nc(N)n1.CNc1cc(-c2ccnc(OC)c2Cl)nc(N)n1.Cc1cccc(-c2cc(CCCc3ccccc3)nc(N)n2)c1C.Nc1nc(NCC(F)F)cc(-c2cccc(Cl)c2)n1.Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)n1.

What is the InChIKey of 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?

The InChIKey is MXVUWAKFHFRZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3.C18H18N4.C13H13N5.C12H11ClF2N4.C11H12ClN5O/c1-15-8-6-13-19(16(15)2)20-14-18(23-21(22)24-20)12-7-11-17-9-4-3-5-10-17;19-18-21-16(15-9-5-2-6-10-15)13-17(22-18)20-12-11-14-7-3-1-4-8-14;1-15-12-6-11(17-13(14)18-12)9-7-16-10-5-3-2-4-8(9)10;13-8-3-1-2-7(4-8)9-5-11(17-6-10(14)15)19-12(16)18-9;1-14-8-5-7(16-11(13)17-8)6-3-4-15-10(18-2)9(6)12/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H2,22,23,24);1-10,13H,11-12H2,(H3,19,20,21,22);2-7,16H,1H3,(H3,14,15,17,18);1-5,10H,6H2,(H3,16,17,18,19);3-5H,1-2H3,(H3,13,14,16,17).

What are the key properties of 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?

Where does this data come from?

All data for 6-(3-chloro-2-methoxy-4-pyridinyl)-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(1H-indol-3-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159702911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).