4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one

C10H15N3O — CID 137273825

IUPAC4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
SMILESC/C=C/CNc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C10H15N3O/c1-3-5-6-11-9-7-10(14)13-8(4-2)12-9/h3,5,7H,4,6H2,1-2H3,(H2,11,12,13,14)/b5-3+
InChIKeyUMAFFEHWPNSBJN-HWKANZROSA-N
MW193.25 g/mol
LogP1.32
Rot. Bonds4

About 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one

4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137273825) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137273825
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
SMILESC/C=C/CNc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C10H15N3O/c1-3-5-6-11-9-7-10(14)13-8(4-2)12-9/h3,5,7H,4,6H2,1-2H3,(H2,11,12,13,14)/b5-3+
InChIKeyUMAFFEHWPNSBJN-HWKANZROSA-N
XLogP1.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 137008661
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136975975
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972721
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one (CID 137273825) is 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one is C/C=C/CNc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is UMAFFEHWPNSBJN-HWKANZROSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-5-6-11-9-7-10(14)13-8(4-2)12-9/h3,5,7H,4,6H2,1-2H3,(H2,11,12,13,14)/b5-3+.
What are the key properties of 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one?
4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137273825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).