1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one

C10H10N4O — CID 62464183

IUPAC1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one
SMILESNc1ncccc1Cn1cccnc1=O
InChIInChI=1S/C10H10N4O/c11-9-8(3-1-4-12-9)7-14-6-2-5-13-10(14)15/h1-6H,7H2,(H2,11,12)
InChIKeyKNUKIAKOHQXBIM-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.27
Rot. Bonds2

About 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one

1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one (PubChem CID 62464183) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one
PubChem CID62464183
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one
SMILESNc1ncccc1Cn1cccnc1=O
InChIInChI=1S/C10H10N4O/c11-9-8(3-1-4-12-9)7-14-6-2-5-13-10(14)15/h1-6H,7H2,(H2,11,12)
InChIKeyKNUKIAKOHQXBIM-UHFFFAOYSA-N
XLogP0.27
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one (CID 62464183) is 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one is Nc1ncccc1Cn1cccnc1=O.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one?
The InChIKey is KNUKIAKOHQXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-9-8(3-1-4-12-9)7-14-6-2-5-13-10(14)15/h1-6H,7H2,(H2,11,12).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one?
1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one has a molecular weight of 202.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one is sourced from PubChem (CID 62464183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).