2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

C12H14N4O2 — CID 118295978

IUPAC2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCC3CCCO3)nc2[nH]1
InChIInChI=1S/C12H14N4O2/c17-10-4-3-8-6-13-12(16-11(8)15-10)14-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H2,13,14,15,16,17)
InChIKeyMKQJPWPWTLJVLW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.91
Rot. Bonds3

About 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118295978) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID118295978
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCC3CCCO3)nc2[nH]1
InChIInChI=1S/C12H14N4O2/c17-10-4-3-8-6-13-12(16-11(8)15-10)14-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H2,13,14,15,16,17)
InChIKeyMKQJPWPWTLJVLW-UHFFFAOYSA-N
XLogP0.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 118295978) is 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NCC3CCCO3)nc2[nH]1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MKQJPWPWTLJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-10-4-3-8-6-13-12(16-11(8)15-10)14-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H2,13,14,15,16,17).
What are the key properties of 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 246.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118295978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).