(3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione

C9H8N2O2 — CID 59289977

IUPAC(3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione
SMILESC[C@@H]1C(=O)N=C2C=CC=CN2C1=O
InChIInChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-6H,1H3/t6-/m1/s1
InChIKeyBZPOYQDDCPEVOZ-ZCFIWIBFSA-N
MW176.18 g/mol
LogP0.47
Rot. Bonds

About (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione

(3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione (PubChem CID 59289977) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione
PubChem CID59289977
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name(3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione
SMILESC[C@@H]1C(=O)N=C2C=CC=CN2C1=O
InChIInChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-6H,1H3/t6-/m1/s1
InChIKeyBZPOYQDDCPEVOZ-ZCFIWIBFSA-N
XLogP0.47
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione (CID 59289977) is (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione is C[C@@H]1C(=O)N=C2C=CC=CN2C1=O.
What is the InChIKey of (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is BZPOYQDDCPEVOZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-6H,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione?
(3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 176.18 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylpyrido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 59289977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).