3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione

C12H14N4O2 — CID 66145921

IUPAC3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2cncn2C2CC2)c1=O
InChIInChI=1S/C12H14N4O2/c1-14-5-4-11(17)15(12(14)18)7-10-6-13-8-16(10)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3
InChIKeyADCPEXDQVKNXAC-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.13
Rot. Bonds3

About 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione

3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 66145921) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID66145921
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2cncn2C2CC2)c1=O
InChIInChI=1S/C12H14N4O2/c1-14-5-4-11(17)15(12(14)18)7-10-6-13-8-16(10)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3
InChIKeyADCPEXDQVKNXAC-UHFFFAOYSA-N
XLogP0.13
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 77085237
2-(3-cyclopropylimidazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136242538
2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one
CID 158083570
2,5-Dihydropyrrol-1-yl-(1-methylimidazol-4-yl)methanone
CID 20703289
5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone
CID 20703304
2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
CID 89156509
3-(Dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one
CID 91442192
7-Propylimidazo[1,5-a]pyrazin-8-one
CID 122652386
7-Cyclopropylimidazo[1,5-a]pyrazin-8-one
CID 122652445
(1-Methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752794
1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
CID 126758440
2-methyl-N-[(3-prop-2-enylimidazol-4-yl)methyl]prop-2-enamide
CID 140281613

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione (CID 66145921) is 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(Cc2cncn2C2CC2)c1=O.
What is the InChIKey of 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is ADCPEXDQVKNXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-14-5-4-11(17)15(12(14)18)7-10-6-13-8-16(10)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 66145921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).