[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine

C19H25N5O — CID 56896849

IUPAC[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2nc(-c3ccccc3)nc3c2CCNCC3)CCO1
InChIInChI=1S/C19H25N5O/c20-12-15-13-24(10-11-25-15)19-16-6-8-21-9-7-17(16)22-18(23-19)14-4-2-1-3-5-14/h1-5,15,21H,6-13,20H2
InChIKeyAAQXVYKXXFJUEB-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.00
Rot. Bonds3

About [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine

[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine (PubChem CID 56896849) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine
PubChem CID56896849
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2nc(-c3ccccc3)nc3c2CCNCC3)CCO1
InChIInChI=1S/C19H25N5O/c20-12-15-13-24(10-11-25-15)19-16-6-8-21-9-7-17(16)22-18(23-19)14-4-2-1-3-5-14/h1-5,15,21H,6-13,20H2
InChIKeyAAQXVYKXXFJUEB-UHFFFAOYSA-N
XLogP1.00
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine 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-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine (CID 56896849) is [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine is NCC1CN(c2nc(-c3ccccc3)nc3c2CCNCC3)CCO1.
What is the InChIKey of [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine?
The InChIKey is AAQXVYKXXFJUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-12-15-13-24(10-11-25-15)19-16-6-8-21-9-7-17(16)22-18(23-19)14-4-2-1-3-5-14/h1-5,15,21H,6-13,20H2.
What are the key properties of [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine?
[4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine has a molecular weight of 339.44 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 56896849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).