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

C17H19N3O — CID 71240668

IUPAC5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1NCCc2nc(-c3ccccc3)nc(C3COC3)c21
InChIInChI=1S/C17H19N3O/c1-11-15-14(7-8-18-11)19-17(12-5-3-2-4-6-12)20-16(15)13-9-21-10-13/h2-6,11,13,18H,7-10H2,1H3
InChIKeyRIISJIXALHUSSG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.46
Rot. Bonds2

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

5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 71240668) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID71240668
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1NCCc2nc(-c3ccccc3)nc(C3COC3)c21
InChIInChI=1S/C17H19N3O/c1-11-15-14(7-8-18-11)19-17(12-5-3-2-4-6-12)20-16(15)13-9-21-10-13/h2-6,11,13,18H,7-10H2,1H3
InChIKeyRIISJIXALHUSSG-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 71240668) is 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC1NCCc2nc(-c3ccccc3)nc(C3COC3)c21.
What is the InChIKey of 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is RIISJIXALHUSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-15-14(7-8-18-11)19-17(12-5-3-2-4-6-12)20-16(15)13-9-21-10-13/h2-6,11,13,18H,7-10H2,1H3.
What are the key properties of 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 281.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxetan-3-yl)-2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).