4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one

C13H11N5O — CID 11402538

IUPAC4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one
SMILESNc1ccc(-n2ccc(=O)c3c(N)ncnc32)cc1
InChIInChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-6-5-10(19)11-12(15)16-7-17-13(11)18/h1-7H,14H2,(H2,15,16,17)
InChIKeyVKOOVQQNRDYNBW-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.95
Rot. Bonds1

About 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one

4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one (PubChem CID 11402538) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one
PubChem CID11402538
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one
SMILESNc1ccc(-n2ccc(=O)c3c(N)ncnc32)cc1
InChIInChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-6-5-10(19)11-12(15)16-7-17-13(11)18/h1-7H,14H2,(H2,15,16,17)
InChIKeyVKOOVQQNRDYNBW-UHFFFAOYSA-N
XLogP0.95
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one (CID 11402538) is 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one is Nc1ccc(-n2ccc(=O)c3c(N)ncnc32)cc1.
What is the InChIKey of 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is VKOOVQQNRDYNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-6-5-10(19)11-12(15)16-7-17-13(11)18/h1-7H,14H2,(H2,15,16,17).
What are the key properties of 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one?
4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 253.27 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 11402538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).