3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one

C14H18N4O — CID 103182844

IUPAC3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2ncc(C)c(N)c2C)c(C)n1
InChIInChI=1S/C14H18N4O/c1-8-6-16-12(10(3)14(8)15)7-18-11(4)17-9(2)5-13(18)19/h5-6H,7H2,1-4H3,(H2,15,16)
InChIKeyXPEIWOPPBOWNSY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.50
Rot. Bonds2

About 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one

3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 103182844) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one
PubChem CID103182844
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2ncc(C)c(N)c2C)c(C)n1
InChIInChI=1S/C14H18N4O/c1-8-6-16-12(10(3)14(8)15)7-18-11(4)17-9(2)5-13(18)19/h5-6H,7H2,1-4H3,(H2,15,16)
InChIKeyXPEIWOPPBOWNSY-UHFFFAOYSA-N
XLogP1.50
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one (CID 103182844) is 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(Cc2ncc(C)c(N)c2C)c(C)n1.
What is the InChIKey of 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is XPEIWOPPBOWNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-6-16-12(10(3)14(8)15)7-18-11(4)17-9(2)5-13(18)19/h5-6H,7H2,1-4H3,(H2,15,16).
What are the key properties of 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one?
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 103182844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).