2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C13H21N3O2 — CID 136983325

IUPAC2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CCCN2)C(C)C
InChIInChI=1S/C13H21N3O2/c1-4-18-10(8(2)3)12-15-11-9(13(17)16-12)6-5-7-14-11/h8,10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyZBVVEPPUJNIUBG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.86
Rot. Bonds4

About 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136983325) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136983325
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CCCN2)C(C)C
InChIInChI=1S/C13H21N3O2/c1-4-18-10(8(2)3)12-15-11-9(13(17)16-12)6-5-7-14-11/h8,10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyZBVVEPPUJNIUBG-UHFFFAOYSA-N
XLogP1.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136983325) is 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CCOC(c1nc2c(c(=O)[nH]1)CCCN2)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZBVVEPPUJNIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-10(8(2)3)12-15-11-9(13(17)16-12)6-5-7-14-11/h8,10H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136983325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).