4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

C13H12ClN5S — CID 164616101

IUPAC4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2cccs2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C13H12ClN5S/c1-19-7-8(5-9-3-2-4-20-9)12(18-19)10-6-11(14)17-13(15)16-10/h2-4,6-7H,5H2,1H3,(H2,15,16,17)
InChIKeyVPCGXMWBHSCODI-UHFFFAOYSA-N
MW305.79 g/mol
LogP2.77
Rot. Bonds3

About 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164616101) has the molecular formula C13H12ClN5S and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID164616101
Molecular FormulaC13H12ClN5S
Molecular Weight305.79 g/mol
Exact Mass305.05
IUPAC Name4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2cccs2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C13H12ClN5S/c1-19-7-8(5-9-3-2-4-20-9)12(18-19)10-6-11(14)17-13(15)16-10/h2-4,6-7H,5H2,1H3,(H2,15,16,17)
InChIKeyVPCGXMWBHSCODI-UHFFFAOYSA-N
XLogP2.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]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

Related Compounds

4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine
CID 447955
4-(2,4-Dichlorophenyl)-1-(4-thiophen-3-ylpyrimidin-2-yl)pyrrolidin-3-amine
CID 11999206
2-(2,3-dichlorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16678189
2-(5-Chloro-thiophen-2-yl)-5-imidazol-1-ylmethyl-pyridine
CID 67511528
4-Chloro-6-[1,5-dimethyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164609956
4-Chloro-6-[4-[(2-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164616334
4-Chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164618782
4-Chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164623748
4-Chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164625583
4-(4-Benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine
CID 164626130
4-Chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101462

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (CID 164616101) is 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is Cn1cc(Cc2cccs2)c(-c2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is VPCGXMWBHSCODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5S/c1-19-7-8(5-9-3-2-4-20-9)12(18-19)10-6-11(14)17-13(15)16-10/h2-4,6-7H,5H2,1H3,(H2,15,16,17).
What are the key properties of 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 305.79 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164616101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).