6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one

C10H10N4O — CID 53390170

IUPAC6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(NCc2cccnc2)[nH]1
InChIInChI=1S/C10H10N4O/c15-10-12-5-3-9(14-10)13-7-8-2-1-4-11-6-8/h1-6H,7H2,(H2,12,13,14,15)
InChIKeyJOCDAXXXGUARKE-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.78
Rot. Bonds3

About 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one

6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one (PubChem CID 53390170) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one
PubChem CID53390170
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(NCc2cccnc2)[nH]1
InChIInChI=1S/C10H10N4O/c15-10-12-5-3-9(14-10)13-7-8-2-1-4-11-6-8/h1-6H,7H2,(H2,12,13,14,15)
InChIKeyJOCDAXXXGUARKE-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one (CID 53390170) is 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one is O=c1nccc(NCc2cccnc2)[nH]1.
What is the InChIKey of 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one?
The InChIKey is JOCDAXXXGUARKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-10-12-5-3-9(14-10)13-7-8-2-1-4-11-6-8/h1-6H,7H2,(H2,12,13,14,15).
What are the key properties of 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one?
6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one has a molecular weight of 202.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 53390170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).