4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one

C10H14N4O — CID 137148905

IUPAC4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one
SMILESC=C(C)/C=N/c1c(C)nc(NC)[nH]c1=O
InChIInChI=1S/C10H14N4O/c1-6(2)5-12-8-7(3)13-10(11-4)14-9(8)15/h5H,1H2,2-4H3,(H2,11,13,14,15)/b12-5+
InChIKeyXRVWBTMGUIRKNF-LFYBBSHMSA-N
MW206.25 g/mol
LogP1.40
Rot. Bonds3

About 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one

4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one (PubChem CID 137148905) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one
PubChem CID137148905
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one
SMILESC=C(C)/C=N/c1c(C)nc(NC)[nH]c1=O
InChIInChI=1S/C10H14N4O/c1-6(2)5-12-8-7(3)13-10(11-4)14-9(8)15/h5H,1H2,2-4H3,(H2,11,13,14,15)/b12-5+
InChIKeyXRVWBTMGUIRKNF-LFYBBSHMSA-N
XLogP1.40
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
CID 135763969
6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine
CID 126593456
N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-amine
CID 166958141
5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
CID 135546460
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 84658879
2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728
methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate
CID 137201096
4,6-dimethyl-5-(methylamino)-1H-pyrimidin-2-one
CID 147755232
N-(2-methylprop-2-enylideneamino)methanamine
CID 76750151

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one (CID 137148905) is 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one is C=C(C)/C=N/c1c(C)nc(NC)[nH]c1=O.
What is the InChIKey of 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one?
The InChIKey is XRVWBTMGUIRKNF-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(2)5-12-8-7(3)13-10(11-4)14-9(8)15/h5H,1H2,2-4H3,(H2,11,13,14,15)/b12-5+.
What are the key properties of 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one?
4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one has a molecular weight of 206.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137148905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).