3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol

C13H11N5O — CID 5328072

IUPAC3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol
SMILESNc1cc2ncnc(Nc3cccc(O)c3)c2cn1
InChIInChI=1S/C13H11N5O/c14-12-5-11-10(6-15-12)13(17-7-16-11)18-8-2-1-3-9(19)4-8/h1-7,19H,(H2,14,15)(H,16,17,18)
InChIKeyUNRPCVUDZXTDLE-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.06
Rot. Bonds2

About 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol

3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 5328072) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID5328072
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol
SMILESNc1cc2ncnc(Nc3cccc(O)c3)c2cn1
InChIInChI=1S/C13H11N5O/c14-12-5-11-10(6-15-12)13(17-7-16-11)18-8-2-1-3-9(19)4-8/h1-7,19H,(H2,14,15)(H,16,17,18)
InChIKeyUNRPCVUDZXTDLE-UHFFFAOYSA-N
XLogP2.06
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol (CID 5328072) is 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol is Nc1cc2ncnc(Nc3cccc(O)c3)c2cn1.
What is the InChIKey of 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is UNRPCVUDZXTDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-12-5-11-10(6-15-12)13(17-7-16-11)18-8-2-1-3-9(19)4-8/h1-7,19H,(H2,14,15)(H,16,17,18).
What are the key properties of 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol?
3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 253.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminopyrido[4,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 5328072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).