(4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

C18H26N6O — CID 56802172

IUPAC(4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCCN(Cc2nccn2C(C)C)CC1
InChIInChI=1S/C18H26N6O/c1-14(2)24-8-5-20-17(24)12-22-6-4-7-23(10-9-22)18(25)16-11-19-13-21-15(16)3/h5,8,11,13-14H,4,6-7,9-10,12H2,1-3H3
InChIKeyWMHCZHWMJNHITL-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.91
Rot. Bonds4

About (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

(4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 56802172) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID56802172
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCCN(Cc2nccn2C(C)C)CC1
InChIInChI=1S/C18H26N6O/c1-14(2)24-8-5-20-17(24)12-22-6-4-7-23(10-9-22)18(25)16-11-19-13-21-15(16)3/h5,8,11,13-14H,4,6-7,9-10,12H2,1-3H3
InChIKeyWMHCZHWMJNHITL-UHFFFAOYSA-N
XLogP1.91
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone 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-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 56802172) is (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone is Cc1ncncc1C(=O)N1CCCN(Cc2nccn2C(C)C)CC1.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is WMHCZHWMJNHITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14(2)24-8-5-20-17(24)12-22-6-4-7-23(10-9-22)18(25)16-11-19-13-21-15(16)3/h5,8,11,13-14H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
(4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 342.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 56802172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).