N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C15H17FN4 — CID 81223554

IUPACN-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(c1ccccc1F)c1ncnc2c1CNCC2
InChIInChI=1S/C15H17FN4/c1-2-20(14-6-4-3-5-12(14)16)15-11-9-17-8-7-13(11)18-10-19-15/h3-6,10,17H,2,7-9H2,1H3
InChIKeyRSOZLPJJOUCCHN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.42
Rot. Bonds3

About N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 81223554) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID81223554
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC NameN-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(c1ccccc1F)c1ncnc2c1CNCC2
InChIInChI=1S/C15H17FN4/c1-2-20(14-6-4-3-5-12(14)16)15-11-9-17-8-7-13(11)18-10-19-15/h3-6,10,17H,2,7-9H2,1H3
InChIKeyRSOZLPJJOUCCHN-UHFFFAOYSA-N
XLogP2.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 81223554) is N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CCN(c1ccccc1F)c1ncnc2c1CNCC2.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is RSOZLPJJOUCCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-2-20(14-6-4-3-5-12(14)16)15-11-9-17-8-7-13(11)18-10-19-15/h3-6,10,17H,2,7-9H2,1H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 272.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 81223554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).