2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C10H12N4O — CID 18375207

IUPAC2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(N)nc21
InChIInChI=1S/C10H12N4O/c1-6(2)14-8(15)4-3-7-5-12-10(11)13-9(7)14/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyZYFVLSKRUYEIDF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.95
Rot. Bonds1

About 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375207) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID18375207
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(N)nc21
InChIInChI=1S/C10H12N4O/c1-6(2)14-8(15)4-3-7-5-12-10(11)13-9(7)14/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyZYFVLSKRUYEIDF-UHFFFAOYSA-N
XLogP0.95
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 18375207) is 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(N)nc21.
What is the InChIKey of 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZYFVLSKRUYEIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6(2)14-8(15)4-3-7-5-12-10(11)13-9(7)14/h3-6H,1-2H3,(H2,11,12,13).
What are the key properties of 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 204.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).