2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine

C11H13ClN4S — CID 107125280

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C11H13ClN4S/c1-3-4-7-5-9(13-2)16-10(15-7)11-14-6-8(12)17-11/h5-6H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyXQRMXZCZCCSOTF-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.25
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine

2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 107125280) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID107125280
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C11H13ClN4S/c1-3-4-7-5-9(13-2)16-10(15-7)11-14-6-8(12)17-11/h5-6H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyXQRMXZCZCCSOTF-UHFFFAOYSA-N
XLogP3.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 107125310
2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 107125389
[2-(5-chloro-1,3-thiazol-2-yl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 107125441
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
2-(2,4-dichlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63480481
2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114454521
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 107125410
2-(4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191788
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790
2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114330950
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine (CID 107125280) is 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2ncc(Cl)s2)n1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is XQRMXZCZCCSOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-3-4-7-5-9(13-2)16-10(15-7)11-14-6-8(12)17-11/h5-6H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 268.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 107125280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).