2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

C10H12N4O — CID 136728596

IUPAC2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCc1cc(C)nc2nc(N)[nH]c(=O)c12
InChIInChI=1S/C10H12N4O/c1-3-6-4-5(2)12-8-7(6)9(15)14-10(11)13-8/h4H,3H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyZASCNJHHOCXYLY-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.77
Rot. Bonds1

About 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136728596) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136728596
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCc1cc(C)nc2nc(N)[nH]c(=O)c12
InChIInChI=1S/C10H12N4O/c1-3-6-4-5(2)12-8-7(6)9(15)14-10(11)13-8/h4H,3H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyZASCNJHHOCXYLY-UHFFFAOYSA-N
XLogP0.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136728596) is 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is CCc1cc(C)nc2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZASCNJHHOCXYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-6-4-5(2)12-8-7(6)9(15)14-10(11)13-8/h4H,3H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 204.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136728596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).