N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C21H22FN5 — CID 69010063

IUPACN-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCCc4ccc(F)cc4)c3C2)nc1
InChIInChI=1S/C21H22FN5/c1-15-2-7-20(24-12-15)27-11-9-19-18(13-27)21(26-14-25-19)23-10-8-16-3-5-17(22)6-4-16/h2-7,12,14H,8-11,13H2,1H3,(H,23,25,26)
InChIKeyFNGIYVQLPCHPOW-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.54
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 69010063) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID69010063
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCCc4ccc(F)cc4)c3C2)nc1
InChIInChI=1S/C21H22FN5/c1-15-2-7-20(24-12-15)27-11-9-19-18(13-27)21(26-14-25-19)23-10-8-16-3-5-17(22)6-4-16/h2-7,12,14H,8-11,13H2,1H3,(H,23,25,26)
InChIKeyFNGIYVQLPCHPOW-UHFFFAOYSA-N
XLogP3.54
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 69010063) is N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NCCc4ccc(F)cc4)c3C2)nc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FNGIYVQLPCHPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c1-15-2-7-20(24-12-15)27-11-9-19-18(13-27)21(26-14-25-19)23-10-8-16-3-5-17(22)6-4-16/h2-7,12,14H,8-11,13H2,1H3,(H,23,25,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 363.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69010063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).