2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

C13H17N5O — CID 121470891

IUPAC2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCCN3CCCC3)nc2[nH]1
InChIInChI=1S/C13H17N5O/c19-11-4-3-10-9-15-13(17-12(10)16-11)14-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H2,14,15,16,17,19)
InChIKeyHKAFCUGOQQYFCU-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.83
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 121470891) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID121470891
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCCN3CCCC3)nc2[nH]1
InChIInChI=1S/C13H17N5O/c19-11-4-3-10-9-15-13(17-12(10)16-11)14-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H2,14,15,16,17,19)
InChIKeyHKAFCUGOQQYFCU-UHFFFAOYSA-N
XLogP0.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 121470891) is 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NCCN3CCCC3)nc2[nH]1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HKAFCUGOQQYFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-11-4-3-10-9-15-13(17-12(10)16-11)14-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8H2,(H2,14,15,16,17,19).
What are the key properties of 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 259.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 121470891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).