ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one

C12H21N3O — CID 142881305

IUPACethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
SMILESCC.CNC(C)C/C=C/c1cnc(=O)[nH]c1
InChIInChI=1S/C10H15N3O.C2H6/c1-8(11-2)4-3-5-9-6-12-10(14)13-7-9;1-2/h3,5-8,11H,4H2,1-2H3,(H,12,13,14);1-2H3/b5-3+;
InChIKeyULXQMHVFCKWLKM-WGCWOXMQSA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds4

About ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one

ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one (PubChem CID 142881305) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Nameethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
PubChem CID142881305
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one
SMILESCC.CNC(C)C/C=C/c1cnc(=O)[nH]c1
InChIInChI=1S/C10H15N3O.C2H6/c1-8(11-2)4-3-5-9-6-12-10(14)13-7-9;1-2/h3,5-8,11H,4H2,1-2H3,(H,12,13,14);1-2H3/b5-3+;
InChIKeyULXQMHVFCKWLKM-WGCWOXMQSA-N
XLogP1.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one?
The IUPAC name of ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one (CID 142881305) is ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one.
What is the SMILES notation for ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one?
The canonical SMILES for ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one is CC.CNC(C)C/C=C/c1cnc(=O)[nH]c1.
What is the InChIKey of ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one?
The InChIKey is ULXQMHVFCKWLKM-WGCWOXMQSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c1-8(11-2)4-3-5-9-6-12-10(14)13-7-9;1-2/h3,5-8,11H,4H2,1-2H3,(H,12,13,14);1-2H3/b5-3+;.
What are the key properties of ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one?
ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 142881305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).