2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid

C16H12F3N5O2 — CID 15983098

IUPAC2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(C(=O)O)cc12
InChIInChI=1S/C16H12F3N5O2/c1-21-12-9-6-8(14(25)26)11(22-13(9)24-15(20)23-12)7-4-2-3-5-10(7)16(17,18)19/h2-6H,1H3,(H,25,26)(H3,20,21,22,23,24)
InChIKeyDMXNRKKYFNEWPP-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.03
Rot. Bonds3

About 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid

2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 15983098) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID15983098
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(C(=O)O)cc12
InChIInChI=1S/C16H12F3N5O2/c1-21-12-9-6-8(14(25)26)11(22-13(9)24-15(20)23-12)7-4-2-3-5-10(7)16(17,18)19/h2-6H,1H3,(H,25,26)(H3,20,21,22,23,24)
InChIKeyDMXNRKKYFNEWPP-UHFFFAOYSA-N
XLogP3.03
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 15983098) is 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid is CNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)c(C(=O)O)cc12.
What is the InChIKey of 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is DMXNRKKYFNEWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c1-21-12-9-6-8(14(25)26)11(22-13(9)24-15(20)23-12)7-4-2-3-5-10(7)16(17,18)19/h2-6H,1H3,(H,25,26)(H3,20,21,22,23,24).
What are the key properties of 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid?
2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 363.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylamino)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 15983098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).