2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one

C12H12N2O2 — CID 136692901

IUPAC2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccoc2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-7-10(9-4-5-16-6-9)13-11(8-2-3-8)14-12(7)15/h4-6,8H,2-3H2,1H3,(H,13,14,15)
InChIKeyNQEQTKFBOWDSEY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.22
Rot. Bonds2

About 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one

2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136692901) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136692901
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccoc2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-7-10(9-4-5-16-6-9)13-11(8-2-3-8)14-12(7)15/h4-6,8H,2-3H2,1H3,(H,13,14,15)
InChIKeyNQEQTKFBOWDSEY-UHFFFAOYSA-N
XLogP2.22
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692169
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692688
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692866
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136764448
4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
CID 103922854
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one (CID 136692901) is 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2ccoc2)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NQEQTKFBOWDSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-10(9-4-5-16-6-9)13-11(8-2-3-8)14-12(7)15/h4-6,8H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one?
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).