4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C20H26N4O — CID 46346039

IUPAC4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1C
InChIInChI=1S/C20H26N4O/c1-15-3-4-17(11-16(15)2)13-23-6-5-19-18(14-23)12-21-20(22-19)24-7-9-25-10-8-24/h3-4,11-12H,5-10,13-14H2,1-2H3
InChIKeyWYOAMJZULCMGQP-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.49
Rot. Bonds3

About 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46346039) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID46346039
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1C
InChIInChI=1S/C20H26N4O/c1-15-3-4-17(11-16(15)2)13-23-6-5-19-18(14-23)12-21-20(22-19)24-7-9-25-10-8-24/h3-4,11-12H,5-10,13-14H2,1-2H3
InChIKeyWYOAMJZULCMGQP-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46346039) is 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is Cc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1C.
What is the InChIKey of 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is WYOAMJZULCMGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-3-4-17(11-16(15)2)13-23-6-5-19-18(14-23)12-21-20(22-19)24-7-9-25-10-8-24/h3-4,11-12H,5-10,13-14H2,1-2H3.
What are the key properties of 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 338.46 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46346039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).