2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine

C20H26N4O2 — CID 56743579

IUPAC2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine
SMILESCOCCC1CN(c2nc(-c3ccccc3)nc3c2CCNC3)CCO1
InChIInChI=1S/C20H26N4O2/c1-25-11-8-16-14-24(10-12-26-16)20-17-7-9-21-13-18(17)22-19(23-20)15-5-3-2-4-6-15/h2-6,16,21H,7-14H2,1H3
InChIKeyCTFFQFNJLODXHS-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.03
Rot. Bonds5

About 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine

2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine (PubChem CID 56743579) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine
PubChem CID56743579
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine
SMILESCOCCC1CN(c2nc(-c3ccccc3)nc3c2CCNC3)CCO1
InChIInChI=1S/C20H26N4O2/c1-25-11-8-16-14-24(10-12-26-16)20-17-7-9-21-13-18(17)22-19(23-20)15-5-3-2-4-6-15/h2-6,16,21H,7-14H2,1H3
InChIKeyCTFFQFNJLODXHS-UHFFFAOYSA-N
XLogP2.03
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine (CID 56743579) is 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine is COCCC1CN(c2nc(-c3ccccc3)nc3c2CCNC3)CCO1.
What is the InChIKey of 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is CTFFQFNJLODXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-11-8-16-14-24(10-12-26-16)20-17-7-9-21-13-18(17)22-19(23-20)15-5-3-2-4-6-15/h2-6,16,21H,7-14H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine?
2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 354.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 56743579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).