2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one

C10H10N4O2 — CID 14975744

IUPAC2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
SMILESNc1ncc(Cc2cc[nH]c(=O)c2)c(=O)[nH]1
InChIInChI=1S/C10H10N4O2/c11-10-13-5-7(9(16)14-10)3-6-1-2-12-8(15)4-6/h1-2,4-5H,3H2,(H,12,15)(H3,11,13,14,16)
InChIKeyPCMDWYHJONNSCE-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.37
Rot. Bonds2

About 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one

2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 14975744) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
PubChem CID14975744
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
SMILESNc1ncc(Cc2cc[nH]c(=O)c2)c(=O)[nH]1
InChIInChI=1S/C10H10N4O2/c11-10-13-5-7(9(16)14-10)3-6-1-2-12-8(15)4-6/h1-2,4-5H,3H2,(H,12,15)(H3,11,13,14,16)
InChIKeyPCMDWYHJONNSCE-UHFFFAOYSA-N
XLogP-0.37
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one (CID 14975744) is 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one is Nc1ncc(Cc2cc[nH]c(=O)c2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is PCMDWYHJONNSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-10-13-5-7(9(16)14-10)3-6-1-2-12-8(15)4-6/h1-2,4-5H,3H2,(H,12,15)(H3,11,13,14,16).
What are the key properties of 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one?
2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 218.22 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 14975744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).