4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine

C20H21ClN4O2 — CID 112930022

IUPAC4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nc(C)cc(Nc3ccc(Cl)cc3C)n2)c1
InChIInChI=1S/C20H21ClN4O2/c1-12-9-14(21)5-7-16(12)23-19-10-13(2)22-20(25-19)24-17-11-15(26-3)6-8-18(17)27-4/h5-11H,1-4H3,(H2,22,23,24,25)
InChIKeyFUWXUSIYUUGKIO-UHFFFAOYSA-N
MW384.87 g/mol
LogP5.25
Rot. Bonds6

About 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930022) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930022
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nc(C)cc(Nc3ccc(Cl)cc3C)n2)c1
InChIInChI=1S/C20H21ClN4O2/c1-12-9-14(21)5-7-16(12)23-19-10-13(2)22-20(25-19)24-17-11-15(26-3)6-8-18(17)27-4/h5-11H,1-4H3,(H2,22,23,24,25)
InChIKeyFUWXUSIYUUGKIO-UHFFFAOYSA-N
XLogP5.25
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-chloro-2-methylphenyl)-4-N-(2,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930055
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
2-N-(4-chloro-2-methylphenyl)-4-N-(3,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930056
4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930724
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930220
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930365
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929597
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928420
4-N-(2,5-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928330
2-N-(2,6-difluorophenyl)-4-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112931156
4-N-(4-chloro-2-methylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921420

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112930022) is 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(OC)c(Nc2nc(C)cc(Nc3ccc(Cl)cc3C)n2)c1.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is FUWXUSIYUUGKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12-9-14(21)5-7-16(12)23-19-10-13(2)22-20(25-19)24-17-11-15(26-3)6-8-18(17)27-4/h5-11H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 384.87 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).