2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C14H23N3O2 — CID 136941505

IUPAC2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCOC(CC)(CC)c1nc2c(c(=O)[nH]1)CCNC2
InChIInChI=1S/C14H23N3O2/c1-4-14(5-2,19-6-3)13-16-11-9-15-8-7-10(11)12(18)17-13/h15H,4-9H2,1-3H3,(H,16,17,18)
InChIKeySCNZCWIEORHJGZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds5

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

2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136941505) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136941505
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCOC(CC)(CC)c1nc2c(c(=O)[nH]1)CCNC2
InChIInChI=1S/C14H23N3O2/c1-4-14(5-2,19-6-3)13-16-11-9-15-8-7-10(11)12(18)17-13/h15H,4-9H2,1-3H3,(H,16,17,18)
InChIKeySCNZCWIEORHJGZ-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136941505) is 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is CCOC(CC)(CC)c1nc2c(c(=O)[nH]1)CCNC2.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SCNZCWIEORHJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-14(5-2,19-6-3)13-16-11-9-15-8-7-10(11)12(18)17-13/h15H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 265.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).