6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine

C12H14N4S — CID 113390538

IUPAC6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESNc1cc(C2CCCC2)nc(-c2nccs2)n1
InChIInChI=1S/C12H14N4S/c13-10-7-9(8-3-1-2-4-8)15-11(16-10)12-14-5-6-17-12/h5-8H,1-4H2,(H2,13,15,16)
InChIKeyIJPWELPJXLZZAO-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.84
Rot. Bonds2

About 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine

6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 113390538) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID113390538
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESNc1cc(C2CCCC2)nc(-c2nccs2)n1
InChIInChI=1S/C12H14N4S/c13-10-7-9(8-3-1-2-4-8)15-11(16-10)12-14-5-6-17-12/h5-8H,1-4H2,(H2,13,15,16)
InChIKeyIJPWELPJXLZZAO-UHFFFAOYSA-N
XLogP2.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 113390538) is 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is Nc1cc(C2CCCC2)nc(-c2nccs2)n1.
What is the InChIKey of 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is IJPWELPJXLZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-10-7-9(8-3-1-2-4-8)15-11(16-10)12-14-5-6-17-12/h5-8H,1-4H2,(H2,13,15,16).
What are the key properties of 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 113390538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).