4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine

C19H19ClN4O2 — CID 112904349

IUPAC4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nccc(Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-3-26-15-7-5-14(6-8-15)22-19-21-11-10-18(24-19)23-16-12-13(20)4-9-17(16)25-2/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyCISOCJWMJRPDQC-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.02
Rot. Bonds7

About 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine

4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112904349) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112904349
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nccc(Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-3-26-15-7-5-14(6-8-15)22-19-21-11-10-18(24-19)23-16-12-13(20)4-9-17(16)25-2/h4-12H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyCISOCJWMJRPDQC-UHFFFAOYSA-N
XLogP5.02
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902552
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112904331
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112904018
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902605
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112904387
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904430
4-N-(2,5-dichlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905091
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902498

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine (CID 112904349) is 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccc(Nc2nccc(Nc3cc(Cl)ccc3OC)n2)cc1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is CISOCJWMJRPDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-3-26-15-7-5-14(6-8-15)22-19-21-11-10-18(24-19)23-16-12-13(20)4-9-17(16)25-2/h4-12H,3H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 370.84 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112904349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).