2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

C20H21ClN4O — CID 112927228

IUPAC2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1nc(C)cc(Nc2cccc(C)c2)n1
InChIInChI=1S/C20H21ClN4O/c1-12-6-5-7-15(8-12)23-19-10-14(3)22-20(25-19)24-17-9-13(2)16(21)11-18(17)26-4/h5-11H,1-4H3,(H2,22,23,24,25)
InChIKeyBCKNWSVJUXDDGE-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.55
Rot. Bonds5

About 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112927228) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112927228
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1nc(C)cc(Nc2cccc(C)c2)n1
InChIInChI=1S/C20H21ClN4O/c1-12-6-5-7-15(8-12)23-19-10-14(3)22-20(25-19)24-17-9-13(2)16(21)11-18(17)26-4/h5-11H,1-4H3,(H2,22,23,24,25)
InChIKeyBCKNWSVJUXDDGE-UHFFFAOYSA-N
XLogP5.55
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928205
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929358
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930901
4-N-(3-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927268
4-N-(4-chloro-2,5-dimethoxyphenyl)-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928254
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930113
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
2-N-(3-chloro-4-methoxyphenyl)-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930286
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919708
methyl 3-[[3-(4-chloro-2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112968683

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112927228) is 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is COc1cc(Cl)c(C)cc1Nc1nc(C)cc(Nc2cccc(C)c2)n1.
What is the InChIKey of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BCKNWSVJUXDDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-12-6-5-7-15(8-12)23-19-10-14(3)22-20(25-19)24-17-9-13(2)16(21)11-18(17)26-4/h5-11H,1-4H3,(H2,22,23,24,25).
What are the key properties of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112927228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).