2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine

C22H21N5 — CID 70880910

IUPAC2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCCc1ccc(Nc2nccc3nc(NCc4ccccc4)ncc23)cc1
InChIInChI=1S/C22H21N5/c1-2-16-8-10-18(11-9-16)26-21-19-15-25-22(27-20(19)12-13-23-21)24-14-17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyZUNRIBYYYKWMFT-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.94
Rot. Bonds6

About 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine

2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 70880910) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID70880910
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCCc1ccc(Nc2nccc3nc(NCc4ccccc4)ncc23)cc1
InChIInChI=1S/C22H21N5/c1-2-16-8-10-18(11-9-16)26-21-19-15-25-22(27-20(19)12-13-23-21)24-14-17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyZUNRIBYYYKWMFT-UHFFFAOYSA-N
XLogP4.94
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (CID 70880910) is 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is CCc1ccc(Nc2nccc3nc(NCc4ccccc4)ncc23)cc1.
What is the InChIKey of 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is ZUNRIBYYYKWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-16-8-10-18(11-9-16)26-21-19-15-25-22(27-20(19)12-13-23-21)24-14-17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 355.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-5-N-(4-ethylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 70880910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).