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

C18H17ClN4O2 — CID 22546746

IUPAC4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
SMILESCOc1ccccc1Oc1ncnc(Nc2ccc(C)c(Cl)c2)c1N
InChIInChI=1S/C18H17ClN4O2/c1-11-7-8-12(9-13(11)19)23-17-16(20)18(22-10-21-17)25-15-6-4-3-5-14(15)24-2/h3-10H,20H2,1-2H3,(H,21,22,23)
InChIKeyVPHYADIOTWCWFS-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.57
Rot. Bonds5

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

4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine (PubChem CID 22546746) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
PubChem CID22546746
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
SMILESCOc1ccccc1Oc1ncnc(Nc2ccc(C)c(Cl)c2)c1N
InChIInChI=1S/C18H17ClN4O2/c1-11-7-8-12(9-13(11)19)23-17-16(20)18(22-10-21-17)25-15-6-4-3-5-14(15)24-2/h3-10H,20H2,1-2H3,(H,21,22,23)
InChIKeyVPHYADIOTWCWFS-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

4-N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22542231
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
6-N-benzyl-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546566
6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine
CID 19135149
6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540628
4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
CID 104725895
6-N-(3-chloro-4-methylphenyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22546620
6-N-(3-chloro-4-methylphenyl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544026
4-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145392
4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141993
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
CID 115376291

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine (CID 22546746) is 4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine is COc1ccccc1Oc1ncnc(Nc2ccc(C)c(Cl)c2)c1N.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine?
The InChIKey is VPHYADIOTWCWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-7-8-12(9-13(11)19)23-17-16(20)18(22-10-21-17)25-15-6-4-3-5-14(15)24-2/h3-10H,20H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine?
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)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-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 22546746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).