2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one

C8H9N5O2 — CID 12649670

IUPAC2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESNc1nc(N)c2c(=O)c(CO)c[nH]c2n1
InChIInChI=1S/C8H9N5O2/c9-6-4-5(15)3(2-14)1-11-7(4)13-8(10)12-6/h1,14H,2H2,(H5,9,10,11,12,13,15)
InChIKeyBYJSIGSNROIJHG-UHFFFAOYSA-N
MW207.19 g/mol
LogP-1.03
Rot. Bonds1

About 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one

2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 12649670) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID12649670
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESNc1nc(N)c2c(=O)c(CO)c[nH]c2n1
InChIInChI=1S/C8H9N5O2/c9-6-4-5(15)3(2-14)1-11-7(4)13-8(10)12-6/h1,14H,2H2,(H5,9,10,11,12,13,15)
InChIKeyBYJSIGSNROIJHG-UHFFFAOYSA-N
XLogP-1.03
TPSA130.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one (CID 12649670) is 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one is Nc1nc(N)c2c(=O)c(CO)c[nH]c2n1.
What is the InChIKey of 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is BYJSIGSNROIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-6-4-5(15)3(2-14)1-11-7(4)13-8(10)12-6/h1,14H,2H2,(H5,9,10,11,12,13,15).
What are the key properties of 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 207.19 g/mol, XLogP of -1.03, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 12649670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).