5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine

C11H14ClN5S — CID 122148804

IUPAC5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(C)c(CCNc2ncnc(N)c2Cl)s1
InChIInChI=1S/C11H14ClN5S/c1-6-8(18-7(2)17-6)3-4-14-11-9(12)10(13)15-5-16-11/h5H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeySELIJHBIWDDAFQ-UHFFFAOYSA-N
MW283.79 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine

5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 122148804) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID122148804
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(C)c(CCNc2ncnc(N)c2Cl)s1
InChIInChI=1S/C11H14ClN5S/c1-6-8(18-7(2)17-6)3-4-14-11-9(12)10(13)15-5-16-11/h5H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeySELIJHBIWDDAFQ-UHFFFAOYSA-N
XLogP2.44
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-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-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 106812041
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
CID 114129038
5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
CID 106812243
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine (CID 122148804) is 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine is Cc1nc(C)c(CCNc2ncnc(N)c2Cl)s1.
What is the InChIKey of 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is SELIJHBIWDDAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-6-8(18-7(2)17-6)3-4-14-11-9(12)10(13)15-5-16-11/h5H,3-4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 283.79 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 122148804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).