1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one

C9H12N2O — CID 59952203

IUPAC1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one
SMILESC/C=C/c1cn(C)c(=O)nc1C
InChIInChI=1S/C9H12N2O/c1-4-5-8-6-11(3)9(12)10-7(8)2/h4-6H,1-3H3/b5-4+
InChIKeyQHLQNEISQKBBEG-SNAWJCMRSA-N
MW164.21 g/mol
LogP1.12
Rot. Bonds1

About 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one

1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one (PubChem CID 59952203) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one
PubChem CID59952203
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one
SMILESC/C=C/c1cn(C)c(=O)nc1C
InChIInChI=1S/C9H12N2O/c1-4-5-8-6-11(3)9(12)10-7(8)2/h4-6H,1-3H3/b5-4+
InChIKeyQHLQNEISQKBBEG-SNAWJCMRSA-N
XLogP1.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70515486
4-imino-3-isopropyl-3,4-dihydro-2(1H)-quinazolinone
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3-Ethyl-4-imino-1,2,3,4-tetrahydroquinazolin-2-one
CID 2754868
3-Butylquinazolinone
CID 20446037
Quinazoline-3-carboxamide
CID 67260576
3-Methylquinazoline
CID 68345740
3-Allylquinazolinone
CID 70631189
Quinazoline-3-aldehyde
CID 129779823
3-(2-Bromoethyl)quinazolinone
CID 132278501
2H-quinazoline-3-carbonyl fluoride
CID 87668405
6-Fluoro-3-pent-4-enylquinazolin-2-one
CID 156703629
Pyrido[1,2-c]quinazolin-6-one
CID 85650358

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one?
The IUPAC name of 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one (CID 59952203) is 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one.
What is the SMILES notation for 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one?
The canonical SMILES for 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one is C/C=C/c1cn(C)c(=O)nc1C.
What is the InChIKey of 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one?
The InChIKey is QHLQNEISQKBBEG-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-5-8-6-11(3)9(12)10-7(8)2/h4-6H,1-3H3/b5-4+.
What are the key properties of 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one?
1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one is sourced from PubChem (CID 59952203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).