2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

C11H15FN4O2 — CID 88924916

IUPAC2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCN(CCF)c1ncc2c(n1)CN(C(=O)O)CC2
InChIInChI=1S/C11H15FN4O2/c1-15(5-3-12)10-13-6-8-2-4-16(11(17)18)7-9(8)14-10/h6H,2-5,7H2,1H3,(H,17,18)
InChIKeyZAJUEKDVCDYIKW-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.92
Rot. Bonds3

About 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 88924916) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID88924916
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCN(CCF)c1ncc2c(n1)CN(C(=O)O)CC2
InChIInChI=1S/C11H15FN4O2/c1-15(5-3-12)10-13-6-8-2-4-16(11(17)18)7-9(8)14-10/h6H,2-5,7H2,1H3,(H,17,18)
InChIKeyZAJUEKDVCDYIKW-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 88924916) is 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is CN(CCF)c1ncc2c(n1)CN(C(=O)O)CC2.
What is the InChIKey of 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is ZAJUEKDVCDYIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-15(5-3-12)10-13-6-8-2-4-16(11(17)18)7-9(8)14-10/h6H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoroethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 88924916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).