4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine

C14H14N6 — CID 5328090

IUPAC4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(NCc3ccccc3N)c2cn1
InChIInChI=1S/C14H14N6/c15-11-4-2-1-3-9(11)6-18-14-10-7-17-13(16)5-12(10)19-8-20-14/h1-5,7-8H,6,15H2,(H2,16,17)(H,18,19,20)
InChIKeyUOXLBDZHQKWTRJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.80
Rot. Bonds3

About 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328090) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328090
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(NCc3ccccc3N)c2cn1
InChIInChI=1S/C14H14N6/c15-11-4-2-1-3-9(11)6-18-14-10-7-17-13(16)5-12(10)19-8-20-14/h1-5,7-8H,6,15H2,(H2,16,17)(H,18,19,20)
InChIKeyUOXLBDZHQKWTRJ-UHFFFAOYSA-N
XLogP1.80
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328090) is 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine is Nc1cc2ncnc(NCc3ccccc3N)c2cn1.
What is the InChIKey of 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is UOXLBDZHQKWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-11-4-2-1-3-9(11)6-18-14-10-7-17-13(16)5-12(10)19-8-20-14/h1-5,7-8H,6,15H2,(H2,16,17)(H,18,19,20).
What are the key properties of 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 266.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).