4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one

C13H15N3O — CID 136955724

IUPAC4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(-c2ccnc(C)c2)nc[nH]c1=O
InChIInChI=1S/C13H15N3O/c1-3-4-11-12(15-8-16-13(11)17)10-5-6-14-9(2)7-10/h5-8H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyMNZBWRAKUYJJSR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.09
Rot. Bonds3

About 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one

4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 136955724) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID136955724
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(-c2ccnc(C)c2)nc[nH]c1=O
InChIInChI=1S/C13H15N3O/c1-3-4-11-12(15-8-16-13(11)17)10-5-6-14-9(2)7-10/h5-8H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyMNZBWRAKUYJJSR-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one (CID 136955724) is 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(-c2ccnc(C)c2)nc[nH]c1=O.
What is the InChIKey of 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is MNZBWRAKUYJJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-4-11-12(15-8-16-13(11)17)10-5-6-14-9(2)7-10/h5-8H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one?
4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 229.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-pyridinyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).