3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one

C7H9N3O — CID 139214335

IUPAC3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NCN=C2NC=CCC12
InChIInChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1,3,5H,2,4H2,(H,8,9)(H,10,11)
InChIKeyULRUXGFKZSCZIE-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.40
Rot. Bonds

About 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one

3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 139214335) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID139214335
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NCN=C2NC=CCC12
InChIInChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1,3,5H,2,4H2,(H,8,9)(H,10,11)
InChIKeyULRUXGFKZSCZIE-UHFFFAOYSA-N
XLogP-0.40
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91552902
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CID 143725427
3-fluoro-3,4-dihydro-1H-pyridin-2-one
CID 54128847
3-propyl-3,4-dihydro-1H-pyridin-2-one
CID 46210202
3,4,5-trihydroxypiperidin-2-one
CID 14867232
(3R,4S,5S,6R,10R,11S,12S,17R,18S,19S,20R,24R,25S,26S,27R,31R,32S,33S,34R,38R,39S,40S,41R,45R,46S,47S,48R,52R,53S,54S,55R)-3,4,5,6,10,11,12,13,17,18,19,20,24,25,26,27,31,32,33,34,38,39,40,41,45,46,47,48,52,53,54,55-dotriacontahydroxy-1,8,15,22,29,36,43,50-octazacyclohexapentacontane-2,9,16,23,30,37,44,51-octone
CID 177404320
(5S)-5-bromo-1H-pyrimidine-4,6-dione
CID 86310273
(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
CID 642676
(3S,4S)-3-amino-4-hydroxypyrrolidin-2-one
CID 15484376
(1S,6R)-7-azabicyclo[4.2.0]oct-3-en-8-one
CID 6932379
2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione
CID 4519986
3-(3-amino-2-pyridinyl)azetidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one (CID 139214335) is 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one is O=C1NCN=C2NC=CCC12.
What is the InChIKey of 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ULRUXGFKZSCZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h1,3,5H,2,4H2,(H,8,9)(H,10,11).
What are the key properties of 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one?
3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 151.17 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139214335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).