5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine

C12H15ClN4S — CID 80855209

IUPAC5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCc2cscc2C)n1
InChIInChI=1S/C12H15ClN4S/c1-3-14-12-16-5-10(13)11(17-12)15-4-9-7-18-6-8(9)2/h5-7H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyUPDUFKJGQRQUID-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.54
Rot. Bonds5

About 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80855209) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80855209
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCc2cscc2C)n1
InChIInChI=1S/C12H15ClN4S/c1-3-14-12-16-5-10(13)11(17-12)15-4-9-7-18-6-8(9)2/h5-7H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyUPDUFKJGQRQUID-UHFFFAOYSA-N
XLogP3.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine 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-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80830405
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
CID 80927239
5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine
CID 104606225
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637
2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807145
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine
CID 130670323
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine (CID 80855209) is 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NCc2cscc2C)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UPDUFKJGQRQUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-3-14-12-16-5-10(13)11(17-12)15-4-9-7-18-6-8(9)2/h5-7H,3-4H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 282.80 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80855209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).