4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C7H9N3O — CID 137229679

IUPAC4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC=NC2=NCCCC12
InChIInChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h4-5H,1-3H2,(H,8,9,10,11)
InChIKeyVCYBOLJTZYPLDY-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.05
Rot. Bonds

About 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137229679) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137229679
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1NC=NC2=NCCCC12
InChIInChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h4-5H,1-3H2,(H,8,9,10,11)
InChIKeyVCYBOLJTZYPLDY-UHFFFAOYSA-N
XLogP-0.05
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one
CID 78166552
6-methyl-4a,5-dihydro-3H-quinazolin-4-one
CID 137158643
6-bromo-3,4a-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 170903679
8-iodo-1,5-dihydropurin-6-one
CID 135747550
3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one
CID 163910411
(5R)-5-amino-1H-pyrimidine-4,6-dione
CID 98071290
(5S)-5-bromo-1H-pyrimidine-4,6-dione
CID 86310273
3a,4,6,7,8,10a-hexahydro-1H-pyrimido[1,2-a]purin-10-one
CID 101239641
6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine
CID 22572109
2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 137263668
2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine
CID 88839526
8-[(E)-[2-chloroethyl(propan-2-yl)amino]diazenyl]-1,5-dihydropurin-6-one
CID 135573456

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137229679) is 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is O=C1NC=NC2=NCCCC12.
What is the InChIKey of 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is VCYBOLJTZYPLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)9-4-10-7/h4-5H,1-3H2,(H,8,9,10,11).
What are the key properties of 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 151.17 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137229679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).