2-pyrido[3,4-d]pyrimidin-2-ylacetic acid

C9H7N3O2 — CID 83877060

IUPAC2-pyrido[3,4-d]pyrimidin-2-ylacetic acid
SMILESO=C(O)Cc1ncc2ccncc2n1
InChIInChI=1S/C9H7N3O2/c13-9(14)3-8-11-4-6-1-2-10-5-7(6)12-8/h1-2,4-5H,3H2,(H,13,14)
InChIKeyLXRPZSDQDBSILT-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.65
Rot. Bonds2

About 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid

2-pyrido[3,4-d]pyrimidin-2-ylacetic acid (PubChem CID 83877060) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid.

Molecular Properties

Compound Name2-pyrido[3,4-d]pyrimidin-2-ylacetic acid
PubChem CID83877060
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-pyrido[3,4-d]pyrimidin-2-ylacetic acid
SMILESO=C(O)Cc1ncc2ccncc2n1
InChIInChI=1S/C9H7N3O2/c13-9(14)3-8-11-4-6-1-2-10-5-7(6)12-8/h1-2,4-5H,3H2,(H,13,14)
InChIKeyLXRPZSDQDBSILT-UHFFFAOYSA-N
XLogP0.65
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thieno[2,3-d]pyrimidin-2-ylacetic acid
CID 82401350
2-(1,6-naphthyridin-3-yl)acetic acid
CID 84770667
N-pyrido[3,4-d]pyrimidin-2-ylacetamide
CID 67452729
2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
CID 84661261
2-isoquinolin-6-ylacetic acid
CID 19098542
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetic acid
CID 82391246
2-(5-phenylpyrimidin-2-yl)acetic acid
CID 83917086
1,7-naphthyridine-3-carbohydrazide
CID 69234324
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
2-pyrazin-2-ylacetic acid
CID 19797048
2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490188
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628

Frequently Asked Questions

What is the IUPAC name of 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid?
The IUPAC name of 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid (CID 83877060) is 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid.
What is the SMILES notation for 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid?
The canonical SMILES for 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid is O=C(O)Cc1ncc2ccncc2n1.
What is the InChIKey of 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid?
The InChIKey is LXRPZSDQDBSILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)3-8-11-4-6-1-2-10-5-7(6)12-8/h1-2,4-5H,3H2,(H,13,14).
What are the key properties of 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid?
2-pyrido[3,4-d]pyrimidin-2-ylacetic acid has a molecular weight of 189.17 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrido[3,4-d]pyrimidin-2-ylacetic acid is sourced from PubChem (CID 83877060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).