4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one

C12H12N2OS — CID 135975455

IUPAC4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccsc1-c1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H12N2OS/c1-7-4-5-16-11(7)12-13-9(8-2-3-8)6-10(15)14-12/h4-6,8H,2-3H2,1H3,(H,13,14,15)
InChIKeyDPLZISSSUHGNBY-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.68
Rot. Bonds2

About 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 135975455) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID135975455
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccsc1-c1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H12N2OS/c1-7-4-5-16-11(7)12-13-9(8-2-3-8)6-10(15)14-12/h4-6,8H,2-3H2,1H3,(H,13,14,15)
InChIKeyDPLZISSSUHGNBY-UHFFFAOYSA-N
XLogP2.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774590
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 135975393
2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136986877
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
2-(5-chlorothiophen-2-yl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975405
4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975441
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
4-(1-methylpiperidin-3-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 135876465
4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 113390310
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one (CID 135975455) is 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one is Cc1ccsc1-c1nc(C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is DPLZISSSUHGNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-4-5-16-11(7)12-13-9(8-2-3-8)6-10(15)14-12/h4-6,8H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one has a molecular weight of 232.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135975455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).