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

C14H21N3O3 — CID 137017835

IUPAC2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCCN3)CCOCC1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(5-8-19-9-6-14)13-16-11-10(12(18)17-13)4-3-7-15-11/h2-9H2,1H3,(H2,15,16,17,18)
InChIKeyIMMUPHPFSXNCJF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.17
Rot. Bonds3

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

2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137017835) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137017835
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCCN3)CCOCC1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(5-8-19-9-6-14)13-16-11-10(12(18)17-13)4-3-7-15-11/h2-9H2,1H3,(H2,15,16,17,18)
InChIKeyIMMUPHPFSXNCJF-UHFFFAOYSA-N
XLogP1.17
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(1-ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148
2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137017839
2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941032
4-tert-butyl-2-(4-ethoxyoxan-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136963943
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136963703
5-bromo-4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136964072
4-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136960396
2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136983325
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
2-(4-ethoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963634
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137017835) is 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CCOC1(c2nc3c(c(=O)[nH]2)CCCN3)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IMMUPHPFSXNCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-14(5-8-19-9-6-14)13-16-11-10(12(18)17-13)4-3-7-15-11/h2-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 279.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137017835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).