4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine

C19H24N4O — CID 56705283

IUPAC4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCc1nc(C2CCNCC2)cc(N2CCOc3ccccc3C2)n1
InChIInChI=1S/C19H24N4O/c1-14-21-17(15-6-8-20-9-7-15)12-19(22-14)23-10-11-24-18-5-3-2-4-16(18)13-23/h2-5,12,15,20H,6-11,13H2,1H3
InChIKeyNHBQJPITMVRWKL-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.65
Rot. Bonds2

About 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine

4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 56705283) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID56705283
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCc1nc(C2CCNCC2)cc(N2CCOc3ccccc3C2)n1
InChIInChI=1S/C19H24N4O/c1-14-21-17(15-6-8-20-9-7-15)12-19(22-14)23-10-11-24-18-5-3-2-4-16(18)13-23/h2-5,12,15,20H,6-11,13H2,1H3
InChIKeyNHBQJPITMVRWKL-UHFFFAOYSA-N
XLogP2.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine 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-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine (CID 56705283) is 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine is Cc1nc(C2CCNCC2)cc(N2CCOc3ccccc3C2)n1.
What is the InChIKey of 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is NHBQJPITMVRWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-21-17(15-6-8-20-9-7-15)12-19(22-14)23-10-11-24-18-5-3-2-4-16(18)13-23/h2-5,12,15,20H,6-11,13H2,1H3.
What are the key properties of 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine?
4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 324.43 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 56705283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).