2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C11H17N3O — CID 114738462

IUPAC2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOC(C)c1ncc2c(n1)CCNC2
InChIInChI=1S/C11H17N3O/c1-3-15-8(2)11-13-7-9-6-12-5-4-10(9)14-11/h7-8,12H,3-6H2,1-2H3
InChIKeyLXGGXKCQCFIKDV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.22
Rot. Bonds3

About 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738462) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738462
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOC(C)c1ncc2c(n1)CCNC2
InChIInChI=1S/C11H17N3O/c1-3-15-8(2)11-13-7-9-6-12-5-4-10(9)14-11/h7-8,12H,3-6H2,1-2H3
InChIKeyLXGGXKCQCFIKDV-UHFFFAOYSA-N
XLogP1.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740686
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738450
2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one
CID 64533619
2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 64533818
2-(1-ethoxybutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738899
2-(1-ethoxyethyl)-4-methylpyrimidin-5-amine
CID 130483651
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride
CID 170900386
2-(propylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738461
2-(1-ethoxyethyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385252
2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 28903977
2-(1-ethoxyethyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740935
3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 119030370

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738462) is 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCOC(C)c1ncc2c(n1)CCNC2.
What is the InChIKey of 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LXGGXKCQCFIKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-15-8(2)11-13-7-9-6-12-5-4-10(9)14-11/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 207.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).