2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine

C17H14Cl2N4 — CID 5271601

IUPAC2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2Cl)nc1Nc1ccccc1Cl
InChIInChI=1S/C17H14Cl2N4/c1-11-10-20-17(22-15-9-5-3-7-13(15)19)23-16(11)21-14-8-4-2-6-12(14)18/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyUKHRZJFIVYKXPW-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.58
Rot. Bonds4

About 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine

2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 5271601) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID5271601
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2Cl)nc1Nc1ccccc1Cl
InChIInChI=1S/C17H14Cl2N4/c1-11-10-20-17(22-15-9-5-3-7-13(15)19)23-16(11)21-14-8-4-2-6-12(14)18/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyUKHRZJFIVYKXPW-UHFFFAOYSA-N
XLogP5.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine
CID 22060710
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 90337576
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
5-chloro-2-N-(2,4-dimethylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;2-N-(2,4-dimethylphenyl)-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(2,4-dimethylphenyl)-4-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine);ethane
CID 159565488

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine (CID 5271601) is 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccccc2Cl)nc1Nc1ccccc1Cl.
What is the InChIKey of 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is UKHRZJFIVYKXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c1-11-10-20-17(22-15-9-5-3-7-13(15)19)23-16(11)21-14-8-4-2-6-12(14)18/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine?
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 345.23 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 5271601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).