5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one

C10H15N3O — CID 10012832

IUPAC5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one
SMILESCNC(C)C/C=C/c1cnc[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-8(11-2)4-3-5-9-6-12-7-13-10(9)14/h3,5-8,11H,4H2,1-2H3,(H,12,13,14)/b5-3+
InChIKeyBXDOQSYLYHHEHO-HWKANZROSA-N
MW193.25 g/mol
LogP0.78
Rot. Bonds4

About 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one

5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one (PubChem CID 10012832) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one
PubChem CID10012832
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one
SMILESCNC(C)C/C=C/c1cnc[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-8(11-2)4-3-5-9-6-12-7-13-10(9)14/h3,5-8,11H,4H2,1-2H3,(H,12,13,14)/b5-3+
InChIKeyBXDOQSYLYHHEHO-HWKANZROSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one (CID 10012832) is 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one is CNC(C)C/C=C/c1cnc[nH]c1=O.
What is the InChIKey of 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is BXDOQSYLYHHEHO-HWKANZROSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(11-2)4-3-5-9-6-12-7-13-10(9)14/h3,5-8,11H,4H2,1-2H3,(H,12,13,14)/b5-3+.
What are the key properties of 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one?
5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 10012832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).