5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine

C15H18ClN3O — CID 88924813

IUPAC5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCCCCc1c(Cl)nc(N)nc1-c1ccc(OC)cc1
InChIInChI=1S/C15H18ClN3O/c1-3-4-5-12-13(18-15(17)19-14(12)16)10-6-8-11(20-2)9-7-10/h6-9H,3-5H2,1-2H3,(H2,17,18,19)
InChIKeyWCMUEARXYOENKZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.73
Rot. Bonds5

About 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine

5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 88924813) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID88924813
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCCCCc1c(Cl)nc(N)nc1-c1ccc(OC)cc1
InChIInChI=1S/C15H18ClN3O/c1-3-4-5-12-13(18-15(17)19-14(12)16)10-6-8-11(20-2)9-7-10/h6-9H,3-5H2,1-2H3,(H2,17,18,19)
InChIKeyWCMUEARXYOENKZ-UHFFFAOYSA-N
XLogP3.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine (CID 88924813) is 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine is CCCCc1c(Cl)nc(N)nc1-c1ccc(OC)cc1.
What is the InChIKey of 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is WCMUEARXYOENKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-4-5-12-13(18-15(17)19-14(12)16)10-6-8-11(20-2)9-7-10/h6-9H,3-5H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine?
5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 88924813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).