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

C16H17FN4O2 — CID 67775528

IUPAC2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCCNc1ncc2c(n1)C(c1ccc(F)cc1)N(C(=O)O)CC2
InChIInChI=1S/C16H17FN4O2/c1-2-18-15-19-9-11-7-8-21(16(22)23)14(13(11)20-15)10-3-5-12(17)6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,22,23)(H,18,19,20)
InChIKeyCGRAGVRBYHTIGE-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.67
Rot. Bonds3

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

2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 67775528) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID67775528
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCCNc1ncc2c(n1)C(c1ccc(F)cc1)N(C(=O)O)CC2
InChIInChI=1S/C16H17FN4O2/c1-2-18-15-19-9-11-7-8-21(16(22)23)14(13(11)20-15)10-3-5-12(17)6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,22,23)(H,18,19,20)
InChIKeyCGRAGVRBYHTIGE-UHFFFAOYSA-N
XLogP2.67
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 67775528) is 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is CCNc1ncc2c(n1)C(c1ccc(F)cc1)N(C(=O)O)CC2.
What is the InChIKey of 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is CGRAGVRBYHTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-2-18-15-19-9-11-7-8-21(16(22)23)14(13(11)20-15)10-3-5-12(17)6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,22,23)(H,18,19,20).
What are the key properties of 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 67775528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).