(2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

C11H14N2O4 — CID 13009263

IUPAC(2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESC[C@]1(C(=O)O)N=C2C=CC=CN2[C@](C)(O)[C@@H]1O
InChIInChI=1S/C11H14N2O4/c1-10(9(15)16)8(14)11(2,17)13-6-4-3-5-7(13)12-10/h3-6,8,14,17H,1-2H3,(H,15,16)/t8-,10+,11-/m1/s1
InChIKeyUGKTUGDKGLYMLY-DVVUODLYSA-N
MW238.24 g/mol
LogP-0.30
Rot. Bonds1

About (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

(2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 13009263) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID13009263
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESC[C@]1(C(=O)O)N=C2C=CC=CN2[C@](C)(O)[C@@H]1O
InChIInChI=1S/C11H14N2O4/c1-10(9(15)16)8(14)11(2,17)13-6-4-3-5-7(13)12-10/h3-6,8,14,17H,1-2H3,(H,15,16)/t8-,10+,11-/m1/s1
InChIKeyUGKTUGDKGLYMLY-DVVUODLYSA-N
XLogP-0.30
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 13009263) is (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid is C[C@]1(C(=O)O)N=C2C=CC=CN2[C@](C)(O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is UGKTUGDKGLYMLY-DVVUODLYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-10(9(15)16)8(14)11(2,17)13-6-4-3-5-7(13)12-10/h3-6,8,14,17H,1-2H3,(H,15,16)/t8-,10+,11-/m1/s1.
What are the key properties of (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid?
(2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 13009263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).