3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one

C14H18N4O2 — CID 63770039

IUPAC3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCn2cc(N)ccc2=O)c(C)n1
InChIInChI=1S/C14H18N4O2/c1-10-8-14(20)18(11(2)16-10)7-3-6-17-9-12(15)4-5-13(17)19/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyLABAEHXWSARDGD-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.69
Rot. Bonds4

About 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one

3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63770039) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63770039
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCn2cc(N)ccc2=O)c(C)n1
InChIInChI=1S/C14H18N4O2/c1-10-8-14(20)18(11(2)16-10)7-3-6-17-9-12(15)4-5-13(17)19/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyLABAEHXWSARDGD-UHFFFAOYSA-N
XLogP0.69
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one (CID 63770039) is 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCCn2cc(N)ccc2=O)c(C)n1.
What is the InChIKey of 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is LABAEHXWSARDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-14(20)18(11(2)16-10)7-3-6-17-9-12(15)4-5-13(17)19/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one?
3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 274.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63770039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).