3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine

C20H18FN5 — CID 69081588

IUPAC3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine
SMILESNC1=Nc2ccc(-c3ccc(F)cc3)nc2CN1NCc1ccccc1
InChIInChI=1S/C20H18FN5/c21-16-8-6-15(7-9-16)17-10-11-18-19(24-17)13-26(20(22)25-18)23-12-14-4-2-1-3-5-14/h1-11,23H,12-13H2,(H2,22,25)
InChIKeyUCIMZLNKVUECIV-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.35
Rot. Bonds4

About 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine

3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine (PubChem CID 69081588) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine.

Molecular Properties

Compound Name3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine
PubChem CID69081588
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine
SMILESNC1=Nc2ccc(-c3ccc(F)cc3)nc2CN1NCc1ccccc1
InChIInChI=1S/C20H18FN5/c21-16-8-6-15(7-9-16)17-10-11-18-19(24-17)13-26(20(22)25-18)23-12-14-4-2-1-3-5-14/h1-11,23H,12-13H2,(H2,22,25)
InChIKeyUCIMZLNKVUECIV-UHFFFAOYSA-N
XLogP3.35
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine?
The IUPAC name of 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine (CID 69081588) is 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine.
What is the SMILES notation for 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine?
The canonical SMILES for 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine is NC1=Nc2ccc(-c3ccc(F)cc3)nc2CN1NCc1ccccc1.
What is the InChIKey of 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine?
The InChIKey is UCIMZLNKVUECIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-16-8-6-15(7-9-16)17-10-11-18-19(24-17)13-26(20(22)25-18)23-12-14-4-2-1-3-5-14/h1-11,23H,12-13H2,(H2,22,25).
What are the key properties of 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine?
3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine has a molecular weight of 347.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-6-(4-fluorophenyl)-4H-pyrido[3,2-d]pyrimidine-2,3-diamine is sourced from PubChem (CID 69081588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).