1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C13H10N4O2 — CID 57451141

IUPAC1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESNc1ccc(-n2c(=O)[nH]c(=O)c3cccnc32)cc1
InChIInChI=1S/C13H10N4O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)12(18)16-13(17)19/h1-7H,14H2,(H,16,18,19)
InChIKeyHUIOBXVKDJKHKS-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.66
Rot. Bonds1

About 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 57451141) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID57451141
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESNc1ccc(-n2c(=O)[nH]c(=O)c3cccnc32)cc1
InChIInChI=1S/C13H10N4O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)12(18)16-13(17)19/h1-7H,14H2,(H,16,18,19)
InChIKeyHUIOBXVKDJKHKS-UHFFFAOYSA-N
XLogP0.66
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Unii-O3pen5V8WL
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CID 9842556
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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 57451141) is 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is Nc1ccc(-n2c(=O)[nH]c(=O)c3cccnc32)cc1.
What is the InChIKey of 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HUIOBXVKDJKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)12(18)16-13(17)19/h1-7H,14H2,(H,16,18,19).
What are the key properties of 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 254.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 57451141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).