[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol

C21H28N4O2 — CID 56752919

IUPAC[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1nc(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C21H28N4O2/c1-25(14-21(15-26)8-11-27-12-9-21)20-17-7-10-22-13-18(17)23-19(24-20)16-5-3-2-4-6-16/h2-6,22,26H,7-15H2,1H3
InChIKeyXHOZJZSEDOGMSO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.01
Rot. Bonds5

About [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol

[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 56752919) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID56752919
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1nc(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C21H28N4O2/c1-25(14-21(15-26)8-11-27-12-9-21)20-17-7-10-22-13-18(17)23-19(24-20)16-5-3-2-4-6-16/h2-6,22,26H,7-15H2,1H3
InChIKeyXHOZJZSEDOGMSO-UHFFFAOYSA-N
XLogP2.01
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol 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-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol (CID 56752919) is [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol is CN(CC1(CO)CCOCC1)c1nc(-c2ccccc2)nc2c1CCNC2.
What is the InChIKey of [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is XHOZJZSEDOGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-25(14-21(15-26)8-11-27-12-9-21)20-17-7-10-22-13-18(17)23-19(24-20)16-5-3-2-4-6-16/h2-6,22,26H,7-15H2,1H3.
What are the key properties of [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 368.48 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 56752919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).