3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one

C12H14N4O2 — CID 79374827

IUPAC3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1cccc(N)n1
InChIInChI=1S/C12H14N4O2/c1-8-6-11(17)16(12(14-8)18-2)7-9-4-3-5-10(13)15-9/h3-6H,7H2,1-2H3,(H2,13,15)
InChIKeyPVAFZHWKUPCTOC-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.59
Rot. Bonds3

About 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one

3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79374827) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79374827
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1cccc(N)n1
InChIInChI=1S/C12H14N4O2/c1-8-6-11(17)16(12(14-8)18-2)7-9-4-3-5-10(13)15-9/h3-6H,7H2,1-2H3,(H2,13,15)
InChIKeyPVAFZHWKUPCTOC-UHFFFAOYSA-N
XLogP0.59
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79374827) is 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1cccc(N)n1.
What is the InChIKey of 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is PVAFZHWKUPCTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-6-11(17)16(12(14-8)18-2)7-9-4-3-5-10(13)15-9/h3-6H,7H2,1-2H3,(H2,13,15).
What are the key properties of 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 246.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79374827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).