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

C13H9N5O2 — CID 143128155

IUPAC4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one
SMILESNc1ncnc2c1c(=O)ccn2-c1ccc(N=O)cc1
InChIInChI=1S/C13H9N5O2/c14-12-11-10(19)5-6-18(13(11)16-7-15-12)9-3-1-8(17-20)2-4-9/h1-7H,(H2,14,15,16)
InChIKeyCQGBLABJKXFBHB-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.76
Rot. Bonds2

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

4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one (PubChem CID 143128155) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one
PubChem CID143128155
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one
SMILESNc1ncnc2c1c(=O)ccn2-c1ccc(N=O)cc1
InChIInChI=1S/C13H9N5O2/c14-12-11-10(19)5-6-18(13(11)16-7-15-12)9-3-1-8(17-20)2-4-9/h1-7H,(H2,14,15,16)
InChIKeyCQGBLABJKXFBHB-UHFFFAOYSA-N
XLogP1.76
TPSA103.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one (CID 143128155) is 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one is Nc1ncnc2c1c(=O)ccn2-c1ccc(N=O)cc1.
What is the InChIKey of 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is CQGBLABJKXFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c14-12-11-10(19)5-6-18(13(11)16-7-15-12)9-3-1-8(17-20)2-4-9/h1-7H,(H2,14,15,16).
What are the key properties of 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one?
4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 267.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(4-nitrosophenyl)pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 143128155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).