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

C12H13ClN4S — CID 103880239

IUPAC6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(Cl)nc(C3CC3)n2)s1
InChIInChI=1S/C12H13ClN4S/c1-7-5-15-11(18-7)6-14-10-4-9(13)16-12(17-10)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,14,16,17)
InChIKeyDGFGENRKAAOJLA-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.38
Rot. Bonds4

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

6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 103880239) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID103880239
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(Cl)nc(C3CC3)n2)s1
InChIInChI=1S/C12H13ClN4S/c1-7-5-15-11(18-7)6-14-10-4-9(13)16-12(17-10)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,14,16,17)
InChIKeyDGFGENRKAAOJLA-UHFFFAOYSA-N
XLogP3.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80953226
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114406
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 103764750
6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine
CID 114109149
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 103880239) is 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2cc(Cl)nc(C3CC3)n2)s1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is DGFGENRKAAOJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-7-5-15-11(18-7)6-14-10-4-9(13)16-12(17-10)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,14,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 280.78 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103880239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).