2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one

C11H13N3OS — CID 137005901

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-c2csc(C)n2)n1
InChIInChI=1S/C11H13N3OS/c1-3-4-8-5-10(15)14-11(13-8)9-6-16-7(2)12-9/h5-6H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyLWRGWJMELHGCDY-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.15
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one

2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 137005901) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID137005901
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-c2csc(C)n2)n1
InChIInChI=1S/C11H13N3OS/c1-3-4-8-5-10(15)14-11(13-8)9-6-16-7(2)12-9/h5-6H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyLWRGWJMELHGCDY-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one (CID 137005901) is 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(-c2csc(C)n2)n1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is LWRGWJMELHGCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-4-8-5-10(15)14-11(13-8)9-6-16-7(2)12-9/h5-6H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one?
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 235.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137005901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).