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

C16H19N3O — CID 114742485

IUPAC4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2cccc(OC)c2)nc2c1CCNC2
InChIInChI=1S/C16H19N3O/c1-3-14-13-7-8-17-10-15(13)19-16(18-14)11-5-4-6-12(9-11)20-2/h4-6,9,17H,3,7-8,10H2,1-2H3
InChIKeyOONLXSPLSZICLV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.36
Rot. Bonds3

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

4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742485) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742485
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(-c2cccc(OC)c2)nc2c1CCNC2
InChIInChI=1S/C16H19N3O/c1-3-14-13-7-8-17-10-15(13)19-16(18-14)11-5-4-6-12(9-11)20-2/h4-6,9,17H,3,7-8,10H2,1-2H3
InChIKeyOONLXSPLSZICLV-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006286
4-ethyl-2-(furan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742401
2-(3-bromo-4-methylphenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107916117
2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740705
2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
CID 79219772
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
2-(1-benzofuran-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742542
4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742448
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252
2-(5-bromothiophen-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742469

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742485) is 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(-c2cccc(OC)c2)nc2c1CCNC2.
What is the InChIKey of 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is OONLXSPLSZICLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-14-13-7-8-17-10-15(13)19-16(18-14)11-5-4-6-12(9-11)20-2/h4-6,9,17H,3,7-8,10H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).