7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one

C9H9N3O2 — CID 140989785

IUPAC7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC(O)c1ccc2cnc(=O)[nH]c2n1
InChIInChI=1S/C9H9N3O2/c1-5(13)7-3-2-6-4-10-9(14)12-8(6)11-7/h2-5,13H,1H3,(H,10,11,12,14)
InChIKeyFBUNRAPONYACCT-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.37
Rot. Bonds1

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

7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 140989785) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID140989785
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC(O)c1ccc2cnc(=O)[nH]c2n1
InChIInChI=1S/C9H9N3O2/c1-5(13)7-3-2-6-4-10-9(14)12-8(6)11-7/h2-5,13H,1H3,(H,10,11,12,14)
InChIKeyFBUNRAPONYACCT-UHFFFAOYSA-N
XLogP0.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-hydroxybutoxy)-1H-pyrido[2,3-d]pyrimidin-2-one
CID 21073840
5-methyl-7-propan-2-yl-1H-pyrido[2,3-d]pyrimidin-2-one
CID 142380129
2-methylsulfonyl-8H-pyrimido[4,5-d]pyrimidin-7-one
CID 141021243
(1R)-1-(2-chloropyrimidin-4-yl)ethanol
CID 124566529
1-(1,8-naphthyridin-2-yl)ethanol
CID 130366439
N-[6-(1-hydroxyethyl)-3-pyridinyl]formamide
CID 166159049
6-bromo-1H-pyrido[2,3-d]pyrimidin-2-one
CID 118036732
1-furo[2,3-b]pyridin-6-ylethanol
CID 133063762
CID 157324522
CID 157324522
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
azane;1H-pteridin-2-one
CID 67883083
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one (CID 140989785) is 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one is CC(O)c1ccc2cnc(=O)[nH]c2n1.
What is the InChIKey of 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is FBUNRAPONYACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5(13)7-3-2-6-4-10-9(14)12-8(6)11-7/h2-5,13H,1H3,(H,10,11,12,14).
What are the key properties of 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one?
7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 140989785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).