2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one

C10H13N3O — CID 1404232

IUPAC2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one
SMILESC=CCN(CC=C)c1nccc(=O)[nH]1
InChIInChI=1S/C10H13N3O/c1-3-7-13(8-4-2)10-11-6-5-9(14)12-10/h3-6H,1-2,7-8H2,(H,11,12,14)
InChIKeyMVQIYMNULXSZPV-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.95
Rot. Bonds5

About 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one

2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one (PubChem CID 1404232) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one
PubChem CID1404232
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one
SMILESC=CCN(CC=C)c1nccc(=O)[nH]1
InChIInChI=1S/C10H13N3O/c1-3-7-13(8-4-2)10-11-6-5-9(14)12-10/h3-6H,1-2,7-8H2,(H,11,12,14)
InChIKeyMVQIYMNULXSZPV-UHFFFAOYSA-N
XLogP0.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one (CID 1404232) is 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one is C=CCN(CC=C)c1nccc(=O)[nH]1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one?
The InChIKey is MVQIYMNULXSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-7-13(8-4-2)10-11-6-5-9(14)12-10/h3-6H,1-2,7-8H2,(H,11,12,14).
What are the key properties of 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one?
2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one has a molecular weight of 191.23 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 1404232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).