5-amino-4-imino-2-methyl-1H-pyrimidin-6-one

C5H8N4O — CID 138059344

IUPAC5-amino-4-imino-2-methyl-1H-pyrimidin-6-one
SMILES[H]/N=C1\N=C(C)NC(=O)C1N
InChIInChI=1S/C5H8N4O/c1-2-8-4(7)3(6)5(10)9-2/h3H,6H2,1H3,(H2,7,8,9,10)
InChIKeyWGOSCJZEFRXFGC-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.16
Rot. Bonds

About 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one

5-amino-4-imino-2-methyl-1H-pyrimidin-6-one (PubChem CID 138059344) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-imino-2-methyl-1H-pyrimidin-6-one
PubChem CID138059344
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name5-amino-4-imino-2-methyl-1H-pyrimidin-6-one
SMILES[H]/N=C1\N=C(C)NC(=O)C1N
InChIInChI=1S/C5H8N4O/c1-2-8-4(7)3(6)5(10)9-2/h3H,6H2,1H3,(H2,7,8,9,10)
InChIKeyWGOSCJZEFRXFGC-UHFFFAOYSA-N
XLogP-1.16
TPSA91.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550601
2-(1-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80551005
2-(2-Aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 10290843
2,4-Dimethyl-1,4-dihydroimidazol-5-one
CID 11571792
2-methyl-4a,8a-dihydro-3H-pteridin-4-one
CID 20720864
2-Ethyl-5-methyl-1H-imidazol-4(5H)-one
CID 45092625
2-methyl-4-(methylaminomethyl)-4H-imidazol-1-id-5-one;rubidium(1+)
CID 59279704
2-Methyl-4-(methylaminomethyl)-1,4-dihydroimidazol-5-one
CID 59279705
2-ethyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 68346425
5-Amino-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxamide
CID 89664882
6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
CID 123586413
2-Tert-butyl-5,9-dihydro-purin-6-one
CID 136984175

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one (CID 138059344) is 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one is [H]/N=C1\N=C(C)NC(=O)C1N.
What is the InChIKey of 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WGOSCJZEFRXFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-8-4(7)3(6)5(10)9-2/h3H,6H2,1H3,(H2,7,8,9,10).
What are the key properties of 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one?
5-amino-4-imino-2-methyl-1H-pyrimidin-6-one has a molecular weight of 140.15 g/mol, XLogP of -1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-imino-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 138059344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).