5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one

C9H14N4O — CID 136679983

IUPAC5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
SMILESCC(C)=CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H14N4O/c1-6(2)3-4-11-8-7(10)9(14)13-5-12-8/h3,5H,4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyGICXJCHKOVCURO-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.73
Rot. Bonds3

About 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one

5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one (PubChem CID 136679983) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
PubChem CID136679983
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
SMILESCC(C)=CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H14N4O/c1-6(2)3-4-11-8-7(10)9(14)13-5-12-8/h3,5H,4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyGICXJCHKOVCURO-UHFFFAOYSA-N
XLogP0.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976247
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987739
3-amino-4-(3-methylbut-2-enylamino)-1H-pyridin-2-one
CID 164645013
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843233
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 137016701
5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one (CID 136679983) is 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one is CC(C)=CCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one?
The InChIKey is GICXJCHKOVCURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)3-4-11-8-7(10)9(14)13-5-12-8/h3,5H,4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one?
5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136679983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).