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

C17H21N3O — CID 114742448

IUPAC4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(C(OC)c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C17H21N3O/c1-3-14-13-9-10-18-11-15(13)20-17(19-14)16(21-2)12-7-5-4-6-8-12/h4-8,16,18H,3,9-11H2,1-2H3
InChIKeyUKDXDEMRNPHWIW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.42
Rot. Bonds4

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

4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742448) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742448
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(C(OC)c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C17H21N3O/c1-3-14-13-9-10-18-11-15(13)20-17(19-14)16(21-2)12-7-5-4-6-8-12/h4-8,16,18H,3,9-11H2,1-2H3
InChIKeyUKDXDEMRNPHWIW-UHFFFAOYSA-N
XLogP2.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742448) is 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(C(OC)c2ccccc2)nc2c1CCNC2.
What is the InChIKey of 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is UKDXDEMRNPHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-14-13-9-10-18-11-15(13)20-17(19-14)16(21-2)12-7-5-4-6-8-12/h4-8,16,18H,3,9-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).