(3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C9H6N2O3 — CID 98095498

IUPAC(3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=C[C@@H]1C(=O)N=C2C=CC=CN2C1=O
InChIInChI=1S/C9H6N2O3/c12-5-6-8(13)10-7-3-1-2-4-11(7)9(6)14/h1-6H/t6-/m1/s1
InChIKeyGWMOMNJYLABQQH-ZCFIWIBFSA-N
MW190.16 g/mol
LogP-0.35
Rot. Bonds1

About (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde

(3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 98095498) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID98095498
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name(3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=C[C@@H]1C(=O)N=C2C=CC=CN2C1=O
InChIInChI=1S/C9H6N2O3/c12-5-6-8(13)10-7-3-1-2-4-11(7)9(6)14/h1-6H/t6-/m1/s1
InChIKeyGWMOMNJYLABQQH-ZCFIWIBFSA-N
XLogP-0.35
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3H-imidazo[1,2-a]pyridin-2-one
CID 59176751
(3E)-3-ethylidene-N-methylimidazo[1,2-a]pyridin-2-imine
CID 164596143
4H-pyrido[1,2-a]pyrimidine-2,3-dione
CID 23459858
7-bromo-3-ethylpyrido[1,2-a]pyrimidine-2,4-dione
CID 165354550
2,3-dihydroimidazo[1,2-a]pyridin-3-ol
CID 170038851
(3R)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93495431
2,6-dioxocyclohex-3-ene-1-carbaldehyde
CID 53393140
(2E)-2-[2-(4-bromophenyl)pyrido[1,2-a]pyrimidin-4-ylidene]acetonitrile
CID 15448784
2H-imidazo[1,2-a]pyridin-3-imine
CID 172840238
(2E)-2-[(6-difluoroboranyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 177396714
(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride
CID 52993133
5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide
CID 70528787

Frequently Asked Questions

What is the IUPAC name of (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 98095498) is (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde is O=C[C@@H]1C(=O)N=C2C=CC=CN2C1=O.
What is the InChIKey of (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is GWMOMNJYLABQQH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-5-6-8(13)10-7-3-1-2-4-11(7)9(6)14/h1-6H/t6-/m1/s1.
What are the key properties of (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
(3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 190.16 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,4-dioxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 98095498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).