6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine

C15H16ClN3S — CID 80973859

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1ccc(Nc2nc(C3CC3)nc(Cl)c2C)cc1
InChIInChI=1S/C15H16ClN3S/c1-9-13(16)18-15(10-3-4-10)19-14(9)17-11-5-7-12(20-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyVXOALXJMIYZNNY-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.78
Rot. Bonds4

About 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine (PubChem CID 80973859) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
PubChem CID80973859
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1ccc(Nc2nc(C3CC3)nc(Cl)c2C)cc1
InChIInChI=1S/C15H16ClN3S/c1-9-13(16)18-15(10-3-4-10)19-14(9)17-11-5-7-12(20-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyVXOALXJMIYZNNY-UHFFFAOYSA-N
XLogP4.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974062
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 80970382
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
6-chloro-2-cyclopropyl-5-methyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80977609
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine (CID 80973859) is 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine is CSc1ccc(Nc2nc(C3CC3)nc(Cl)c2C)cc1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The InChIKey is VXOALXJMIYZNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-9-13(16)18-15(10-3-4-10)19-14(9)17-11-5-7-12(20-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine has a molecular weight of 305.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80973859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).