4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine

C14H17ClN4O — CID 80762786

IUPAC4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(OC)c(Cl)c2)ncn1
InChIInChI=1S/C14H17ClN4O/c1-3-6-16-13-8-14(18-9-17-13)19-10-4-5-12(20-2)11(15)7-10/h4-5,7-9H,3,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyMTCWHZIKONHKHU-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.70
Rot. Bonds6

About 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80762786) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80762786
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(OC)c(Cl)c2)ncn1
InChIInChI=1S/C14H17ClN4O/c1-3-6-16-13-8-14(18-9-17-13)19-10-4-5-12(20-2)11(15)7-10/h4-5,7-9H,3,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyMTCWHZIKONHKHU-UHFFFAOYSA-N
XLogP3.70
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859096
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866020
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866008
6-N-(3-chloro-4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112866035
4-[[6-(3-chloro-4-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192962
4-N-(3,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864034
4-N-(3-chloro-4-fluorophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856757
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
4-N-(3-chloro-4-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932590
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112864576

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine (CID 80762786) is 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccc(OC)c(Cl)c2)ncn1.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MTCWHZIKONHKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-6-16-13-8-14(18-9-17-13)19-10-4-5-12(20-2)11(15)7-10/h4-5,7-9H,3,6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).