3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one

C9H10N4O — CID 70473128

IUPAC3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
SMILESCn1ccnc1Cn1cnccc1=O
InChIInChI=1S/C9H10N4O/c1-12-5-4-11-8(12)6-13-7-10-3-2-9(13)14/h2-5,7H,6H2,1H3
InChIKeyPFBWDGRPWAXPIR-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.03
Rot. Bonds2

About 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one

3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one (PubChem CID 70473128) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
PubChem CID70473128
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
SMILESCn1ccnc1Cn1cnccc1=O
InChIInChI=1S/C9H10N4O/c1-12-5-4-11-8(12)6-13-7-10-3-2-9(13)14/h2-5,7H,6H2,1H3
InChIKeyPFBWDGRPWAXPIR-UHFFFAOYSA-N
XLogP0.03
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one (CID 70473128) is 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one is Cn1ccnc1Cn1cnccc1=O.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one?
The InChIKey is PFBWDGRPWAXPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12-5-4-11-8(12)6-13-7-10-3-2-9(13)14/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one?
3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one has a molecular weight of 190.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 70473128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).