2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C15H20N4O2 — CID 122178088

IUPAC2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C15H20N4O2/c1-10(2)19-13(20)4-3-11-9-16-15(18-14(11)19)17-12-5-7-21-8-6-12/h3-4,9-10,12H,5-8H2,1-2H3,(H,16,17,18)
InChIKeyOYXVJMGNNKEOSX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds3

About 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 122178088) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID122178088
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCOCC3)nc21
InChIInChI=1S/C15H20N4O2/c1-10(2)19-13(20)4-3-11-9-16-15(18-14(11)19)17-12-5-7-21-8-6-12/h3-4,9-10,12H,5-8H2,1-2H3,(H,16,17,18)
InChIKeyOYXVJMGNNKEOSX-UHFFFAOYSA-N
XLogP1.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 122178088) is 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(NC3CCOCC3)nc21.
What is the InChIKey of 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OYXVJMGNNKEOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)19-13(20)4-3-11-9-16-15(18-14(11)19)17-12-5-7-21-8-6-12/h3-4,9-10,12H,5-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 288.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 122178088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).