1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone

C23H30N4O3 — CID 42786499

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone
SMILESCc1nc2c(c(N3CC(C)OC(C)C3)n1)CN(C(=O)COCc1ccccc1)CC2
InChIInChI=1S/C23H30N4O3/c1-16-11-27(12-17(2)30-16)23-20-13-26(10-9-21(20)24-18(3)25-23)22(28)15-29-14-19-7-5-4-6-8-19/h4-8,16-17H,9-15H2,1-3H3
InChIKeyPJJGKHCMERZBRZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.50
Rot. Bonds5

About 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone

1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone (PubChem CID 42786499) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone
PubChem CID42786499
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone
SMILESCc1nc2c(c(N3CC(C)OC(C)C3)n1)CN(C(=O)COCc1ccccc1)CC2
InChIInChI=1S/C23H30N4O3/c1-16-11-27(12-17(2)30-16)23-20-13-26(10-9-21(20)24-18(3)25-23)22(28)15-29-14-19-7-5-4-6-8-19/h4-8,16-17H,9-15H2,1-3H3
InChIKeyPJJGKHCMERZBRZ-UHFFFAOYSA-N
XLogP2.50
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone 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 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone (CID 42786499) is 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone is Cc1nc2c(c(N3CC(C)OC(C)C3)n1)CN(C(=O)COCc1ccccc1)CC2.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone?
The InChIKey is PJJGKHCMERZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16-11-27(12-17(2)30-16)23-20-13-26(10-9-21(20)24-18(3)25-23)22(28)15-29-14-19-7-5-4-6-8-19/h4-8,16-17H,9-15H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone?
1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone has a molecular weight of 410.52 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 42786499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).