5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C14H16ClN3S — CID 114215437

IUPAC5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCc1ncc(CCl)c(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C14H16ClN3S/c1-10-16-8-11(7-15)14(17-10)18(12-4-5-12)9-13-3-2-6-19-13/h2-3,6,8,12H,4-5,7,9H2,1H3
InChIKeyHJBZSHXHECQGIN-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.75
Rot. Bonds5

About 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 114215437) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID114215437
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCc1ncc(CCl)c(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C14H16ClN3S/c1-10-16-8-11(7-15)14(17-10)18(12-4-5-12)9-13-3-2-6-19-13/h2-3,6,8,12H,4-5,7,9H2,1H3
InChIKeyHJBZSHXHECQGIN-UHFFFAOYSA-N
XLogP3.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)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

5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 114067735
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62863221
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
5-bromo-4-N-cyclopropyl-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809068
[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61449696
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 114215437) is 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is Cc1ncc(CCl)c(N(Cc2cccs2)C2CC2)n1.
What is the InChIKey of 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is HJBZSHXHECQGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-10-16-8-11(7-15)14(17-10)18(12-4-5-12)9-13-3-2-6-19-13/h2-3,6,8,12H,4-5,7,9H2,1H3.
What are the key properties of 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 293.82 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 114215437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).