2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid

C15H13N5O2 — CID 15983850

IUPAC2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(=O)O)ccc12
InChIInChI=1S/C15H13N5O2/c1-17-12-10-6-7-11(18-13(10)20-15(16)19-12)8-4-2-3-5-9(8)14(21)22/h2-7H,1H3,(H,21,22)(H3,16,17,18,19,20)
InChIKeyOODOFCAXMWPRPA-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.01
Rot. Bonds3

About 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid

2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid (PubChem CID 15983850) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid.

Molecular Properties

Compound Name2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
PubChem CID15983850
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(=O)O)ccc12
InChIInChI=1S/C15H13N5O2/c1-17-12-10-6-7-11(18-13(10)20-15(16)19-12)8-4-2-3-5-9(8)14(21)22/h2-7H,1H3,(H,21,22)(H3,16,17,18,19,20)
InChIKeyOODOFCAXMWPRPA-UHFFFAOYSA-N
XLogP2.01
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid?
The IUPAC name of 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid (CID 15983850) is 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid.
What is the SMILES notation for 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid?
The canonical SMILES for 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid is CNc1nc(N)nc2nc(-c3ccccc3C(=O)O)ccc12.
What is the InChIKey of 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid?
The InChIKey is OODOFCAXMWPRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-17-12-10-6-7-11(18-13(10)20-15(16)19-12)8-4-2-3-5-9(8)14(21)22/h2-7H,1H3,(H,21,22)(H3,16,17,18,19,20).
What are the key properties of 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid?
2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid has a molecular weight of 295.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid is sourced from PubChem (CID 15983850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).