5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine

C12H15ClN4S — CID 80851975

IUPAC5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)(CNc1nc(N)ncc1Cl)c1cccs1
InChIInChI=1S/C12H15ClN4S/c1-12(2,9-4-3-5-18-9)7-16-10-8(13)6-15-11(14)17-10/h3-6H,7H2,1-2H3,(H3,14,15,16,17)
InChIKeyCHFHGNXHZLAYEV-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.16
Rot. Bonds4

About 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine

5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 80851975) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
PubChem CID80851975
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)(CNc1nc(N)ncc1Cl)c1cccs1
InChIInChI=1S/C12H15ClN4S/c1-12(2,9-4-3-5-18-9)7-16-10-8(13)6-15-11(14)17-10/h3-6H,7H2,1-2H3,(H3,14,15,16,17)
InChIKeyCHFHGNXHZLAYEV-UHFFFAOYSA-N
XLogP3.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)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

6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084
3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525947
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80528307
5-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80777087
5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525997
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366556
3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 80527787
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528214
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149814
4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80851821
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208
6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970400

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine (CID 80851975) is 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine is CC(C)(CNc1nc(N)ncc1Cl)c1cccs1.
What is the InChIKey of 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is CHFHGNXHZLAYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-12(2,9-4-3-5-18-9)7-16-10-8(13)6-15-11(14)17-10/h3-6H,7H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 282.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80851975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).