2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one

C14H15N3O — CID 135725522

IUPAC2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(/C=C/c2cccnc2)cc(=O)[nH]1
InChIInChI=1S/C14H15N3O/c1-10(2)14-16-12(8-13(18)17-14)6-5-11-4-3-7-15-9-11/h3-10H,1-2H3,(H,16,17,18)/b6-5+
InChIKeyDLTYBGJUPQJPSC-AATRIKPKSA-N
MW241.29 g/mol
LogP2.46
Rot. Bonds3

About 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one

2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one (PubChem CID 135725522) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one
PubChem CID135725522
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(/C=C/c2cccnc2)cc(=O)[nH]1
InChIInChI=1S/C14H15N3O/c1-10(2)14-16-12(8-13(18)17-14)6-5-11-4-3-7-15-9-11/h3-10H,1-2H3,(H,16,17,18)/b6-5+
InChIKeyDLTYBGJUPQJPSC-AATRIKPKSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one (CID 135725522) is 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one is CC(C)c1nc(/C=C/c2cccnc2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one?
The InChIKey is DLTYBGJUPQJPSC-AATRIKPKSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(2)14-16-12(8-13(18)17-14)6-5-11-4-3-7-15-9-11/h3-10H,1-2H3,(H,16,17,18)/b6-5+.
What are the key properties of 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one?
2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135725522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).