4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine

C15H19ClN4O — CID 80736789

IUPAC4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C15H19ClN4O/c1-4-5-10-14(17)18-8-19-15(10)20-12-6-9(2)11(16)7-13(12)21-3/h6-8H,4-5H2,1-3H3,(H3,17,18,19,20)
InChIKeyUFYXBENIBSKWFE-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.73
Rot. Bonds5

About 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine

4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80736789) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80736789
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C15H19ClN4O/c1-4-5-10-14(17)18-8-19-15(10)20-12-6-9(2)11(16)7-13(12)21-3/h6-8H,4-5H2,1-3H3,(H3,17,18,19,20)
InChIKeyUFYXBENIBSKWFE-UHFFFAOYSA-N
XLogP3.73
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762859
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80748285
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 114841127
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2402575
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine (CID 80736789) is 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is UFYXBENIBSKWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-5-10-14(17)18-8-19-15(10)20-12-6-9(2)11(16)7-13(12)21-3/h6-8H,4-5H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 306.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80736789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).