5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine

C15H14ClN5S — CID 90383982

IUPAC5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C15H14ClN5S/c1-8-4-12(22-7-8)15-17-6-10(16)14(19-15)18-13-5-11(20-21-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,17,18,19,20,21)
InChIKeyGHMCMSYDEYRBRC-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.51
Rot. Bonds4

About 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine

5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 90383982) has the molecular formula C15H14ClN5S and a molecular weight of 331.83 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID90383982
Molecular FormulaC15H14ClN5S
Molecular Weight331.83 g/mol
Exact Mass331.07
IUPAC Name5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C15H14ClN5S/c1-8-4-12(22-7-8)15-17-6-10(16)14(19-15)18-13-5-11(20-21-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,17,18,19,20,21)
InChIKeyGHMCMSYDEYRBRC-UHFFFAOYSA-N
XLogP4.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine (CID 90383982) is 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine is Cc1csc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is GHMCMSYDEYRBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5S/c1-8-4-12(22-7-8)15-17-6-10(16)14(19-15)18-13-5-11(20-21-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine?
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 331.83 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 90383982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).