4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one

C8H10N2O — CID 137280095

IUPAC4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one
SMILESC/C=C\c1c(C)nc[nH]c1=O
InChIInChI=1S/C8H10N2O/c1-3-4-7-6(2)9-5-10-8(7)11/h3-5H,1-2H3,(H,9,10,11)/b4-3-
InChIKeyNLSZVDCTPVJGDN-ARJAWSKDSA-N
MW150.18 g/mol
LogP1.11
Rot. Bonds1

About 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one

4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one (PubChem CID 137280095) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one
PubChem CID137280095
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one
SMILESC/C=C\c1c(C)nc[nH]c1=O
InChIInChI=1S/C8H10N2O/c1-3-4-7-6(2)9-5-10-8(7)11/h3-5H,1-2H3,(H,9,10,11)/b4-3-
InChIKeyNLSZVDCTPVJGDN-ARJAWSKDSA-N
XLogP1.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one (CID 137280095) is 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one is C/C=C\c1c(C)nc[nH]c1=O.
What is the InChIKey of 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is NLSZVDCTPVJGDN-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-4-7-6(2)9-5-10-8(7)11/h3-5H,1-2H3,(H,9,10,11)/b4-3-.
What are the key properties of 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one?
4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 150.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137280095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).