4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one

C8H9N3O — CID 137282295

IUPAC4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one
SMILESC=N/C=C\c1c(C)nc[nH]c1=O
InChIInChI=1S/C8H9N3O/c1-6-7(3-4-9-2)8(12)11-5-10-6/h3-5H,2H2,1H3,(H,10,11,12)/b4-3-
InChIKeyALUYBAVQYQKLQS-ARJAWSKDSA-N
MW163.18 g/mol
LogP0.75
Rot. Bonds2

About 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one

4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one (PubChem CID 137282295) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one
PubChem CID137282295
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one
SMILESC=N/C=C\c1c(C)nc[nH]c1=O
InChIInChI=1S/C8H9N3O/c1-6-7(3-4-9-2)8(12)11-5-10-6/h3-5H,2H2,1H3,(H,10,11,12)/b4-3-
InChIKeyALUYBAVQYQKLQS-ARJAWSKDSA-N
XLogP0.75
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-4-methyl-1H-pyrimidin-6-one
CID 142197418
4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane
CID 142610528
2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135422502
4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
CID 136597519
5-ethylidene-4-methylidene-1H-pyrimidin-6-one
CID 137097267
N-[(Z)-2-(2,6-diiodo-4-methyl-3-pyridinyl)ethenyl]methanimine
CID 129258654
4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one
CID 176962482
methyl 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enoate
CID 170501498
3-methyl-1H-pyrazin-2-one;hydrochloride
CID 70076933
6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135783855
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrimidin-6-one
CID 137304954

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one (CID 137282295) is 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one is C=N/C=C\c1c(C)nc[nH]c1=O.
What is the InChIKey of 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one?
The InChIKey is ALUYBAVQYQKLQS-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-7(3-4-9-2)8(12)11-5-10-6/h3-5H,2H2,1H3,(H,10,11,12)/b4-3-.
What are the key properties of 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one?
4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one has a molecular weight of 163.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137282295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).