4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine

C18H17ClN4O2 — CID 22546079

IUPAC4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
SMILESCOc1ccc(Cl)cc1Nc1ncnc(Oc2ccc(C)cc2)c1N
InChIInChI=1S/C18H17ClN4O2/c1-11-3-6-13(7-4-11)25-18-16(20)17(21-10-22-18)23-14-9-12(19)5-8-15(14)24-2/h3-10H,20H2,1-2H3,(H,21,22,23)
InChIKeyIAQSYVSPMIGCQY-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.57
Rot. Bonds5

About 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine

4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine (PubChem CID 22546079) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
PubChem CID22546079
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
SMILESCOc1ccc(Cl)cc1Nc1ncnc(Oc2ccc(C)cc2)c1N
InChIInChI=1S/C18H17ClN4O2/c1-11-3-6-13(7-4-11)25-18-16(20)17(21-10-22-18)23-14-9-12(19)5-8-15(14)24-2/h3-10H,20H2,1-2H3,(H,21,22,23)
InChIKeyIAQSYVSPMIGCQY-UHFFFAOYSA-N
XLogP4.57
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-ethylphenoxy)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 22541998
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22547350
6-(4-bromophenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547356
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547316
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594
6-N-(4-butoxyphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545988
6-(4-bromophenoxy)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19142963
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653
4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
CID 81263462

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine (CID 22546079) is 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine is COc1ccc(Cl)cc1Nc1ncnc(Oc2ccc(C)cc2)c1N.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine?
The InChIKey is IAQSYVSPMIGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-3-6-13(7-4-11)25-18-16(20)17(21-10-22-18)23-14-9-12(19)5-8-15(14)24-2/h3-10H,20H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine?
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine has a molecular weight of 356.81 g/mol, XLogP of 4.57, 5 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)-6-(4-methylphenoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 22546079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).