5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one

C10H15N3O — CID 91535270

IUPAC5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one
SMILESCC(=CCC(C)N)c1cnc(=O)[nH]c1
InChIInChI=1S/C10H15N3O/c1-7(3-4-8(2)11)9-5-12-10(14)13-6-9/h3,5-6,8H,4,11H2,1-2H3,(H,12,13,14)
InChIKeyJQIAICDACQXDER-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.91
Rot. Bonds3

About 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one

5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one (PubChem CID 91535270) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one
PubChem CID91535270
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one
SMILESCC(=CCC(C)N)c1cnc(=O)[nH]c1
InChIInChI=1S/C10H15N3O/c1-7(3-4-8(2)11)9-5-12-10(14)13-6-9/h3,5-6,8H,4,11H2,1-2H3,(H,12,13,14)
InChIKeyJQIAICDACQXDER-UHFFFAOYSA-N
XLogP0.91
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one (CID 91535270) is 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one is CC(=CCC(C)N)c1cnc(=O)[nH]c1.
What is the InChIKey of 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one?
The InChIKey is JQIAICDACQXDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(3-4-8(2)11)9-5-12-10(14)13-6-9/h3,5-6,8H,4,11H2,1-2H3,(H,12,13,14).
What are the key properties of 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one?
5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminohex-2-en-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 91535270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).