6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

C12H15ClN4S — CID 113387490

IUPAC6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)c2ncc(C)s2)n1
InChIInChI=1S/C12H15ClN4S/c1-6-5-14-12(18-6)8(3)15-11-7(2)10(13)16-9(4)17-11/h5,8H,1-4H3,(H,15,16,17)
InChIKeyDHMJNJTYMSEHPW-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.68
Rot. Bonds3

About 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 113387490) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID113387490
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC(C)c2ncc(C)s2)n1
InChIInChI=1S/C12H15ClN4S/c1-6-5-14-12(18-6)8(3)15-11-7(2)10(13)16-9(4)17-11/h5,8H,1-4H3,(H,15,16,17)
InChIKeyDHMJNJTYMSEHPW-UHFFFAOYSA-N
XLogP3.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]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

6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 130979497
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 115681209
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 112697262
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80803114
methyl 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133335765
2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114786061
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115751080
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 112700535
4-chloro-8-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-7-amine
CID 133337191
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide
CID 113387313

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 113387490) is 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC(C)c2ncc(C)s2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DHMJNJTYMSEHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-6-5-14-12(18-6)8(3)15-11-7(2)10(13)16-9(4)17-11/h5,8H,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 282.80 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 113387490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).