1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

C17H17ClN6 — CID 108777581

IUPAC1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(Nc3nc(C)cc(C)n3)cc2)nc(Cl)n1
InChIInChI=1S/C17H17ClN6/c1-10-8-11(2)21-17(20-10)23-14-6-4-13(5-7-14)22-15-9-12(3)19-16(18)24-15/h4-9H,1-3H3,(H,19,22,24)(H,20,21,23)
InChIKeyGIQVSGNPTQXFNL-UHFFFAOYSA-N
MW340.82 g/mol
LogP4.33
Rot. Bonds4

About 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine (PubChem CID 108777581) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
PubChem CID108777581
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC Name1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(Nc3nc(C)cc(C)n3)cc2)nc(Cl)n1
InChIInChI=1S/C17H17ClN6/c1-10-8-11(2)21-17(20-10)23-14-6-4-13(5-7-14)22-15-9-12(3)19-16(18)24-15/h4-9H,1-3H3,(H,19,22,24)(H,20,21,23)
InChIKeyGIQVSGNPTQXFNL-UHFFFAOYSA-N
XLogP4.33
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876
2-N-(4-chlorophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929886
4-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932222
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
4-N-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927325
4-N-(4-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929746
4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928418
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine (CID 108777581) is 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine is Cc1cc(Nc2ccc(Nc3nc(C)cc(C)n3)cc2)nc(Cl)n1.
What is the InChIKey of 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine?
The InChIKey is GIQVSGNPTQXFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c1-10-8-11(2)21-17(20-10)23-14-6-4-13(5-7-14)22-15-9-12(3)19-16(18)24-15/h4-9H,1-3H3,(H,19,22,24)(H,20,21,23).
What are the key properties of 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine?
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine has a molecular weight of 340.82 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 108777581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).