4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione

C14H12N4O2 — CID 167528276

IUPAC4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCc1ccccc1-n1c(=O)nc(N)c2ccc(=O)[nH]c21
InChIInChI=1S/C14H12N4O2/c1-8-4-2-3-5-10(8)18-13-9(6-7-11(19)16-13)12(15)17-14(18)20/h2-7H,1H3,(H,16,19)(H2,15,17,20)
InChIKeyNLCNUXDDPOTZBV-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.96
Rot. Bonds1

About 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione

4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione (PubChem CID 167528276) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione
PubChem CID167528276
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCc1ccccc1-n1c(=O)nc(N)c2ccc(=O)[nH]c21
InChIInChI=1S/C14H12N4O2/c1-8-4-2-3-5-10(8)18-13-9(6-7-11(19)16-13)12(15)17-14(18)20/h2-7H,1H3,(H,16,19)(H2,15,17,20)
InChIKeyNLCNUXDDPOTZBV-UHFFFAOYSA-N
XLogP0.96
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The IUPAC name of 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione (CID 167528276) is 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione.
What is the SMILES notation for 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The canonical SMILES for 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione is Cc1ccccc1-n1c(=O)nc(N)c2ccc(=O)[nH]c21.
What is the InChIKey of 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The InChIKey is NLCNUXDDPOTZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-4-2-3-5-10(8)18-13-9(6-7-11(19)16-13)12(15)17-14(18)20/h2-7H,1H3,(H,16,19)(H2,15,17,20).
What are the key properties of 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione has a molecular weight of 268.28 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,7-dione is sourced from PubChem (CID 167528276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).