5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C19H24N4O2 — CID 58494795

IUPAC5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCc1c2c(cc3c1N(CCOc1ncccn1)CCO3)CCNCC2
InChIInChI=1S/C19H24N4O2/c1-14-16-4-8-20-7-3-15(16)13-17-18(14)23(9-11-24-17)10-12-25-19-21-5-2-6-22-19/h2,5-6,13,20H,3-4,7-12H2,1H3
InChIKeyAXSOKGDHFATTHI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.75
Rot. Bonds4

About 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58494795) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58494795
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCc1c2c(cc3c1N(CCOc1ncccn1)CCO3)CCNCC2
InChIInChI=1S/C19H24N4O2/c1-14-16-4-8-20-7-3-15(16)13-17-18(14)23(9-11-24-17)10-12-25-19-21-5-2-6-22-19/h2,5-6,13,20H,3-4,7-12H2,1H3
InChIKeyAXSOKGDHFATTHI-UHFFFAOYSA-N
XLogP1.75
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine 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 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 58494795) is 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is Cc1c2c(cc3c1N(CCOc1ncccn1)CCO3)CCNCC2.
What is the InChIKey of 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is AXSOKGDHFATTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-16-4-8-20-7-3-15(16)13-17-18(14)23(9-11-24-17)10-12-25-19-21-5-2-6-22-19/h2,5-6,13,20H,3-4,7-12H2,1H3.
What are the key properties of 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 340.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-pyrimidin-2-yloxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58494795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).