2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one

C15H24N4O — CID 171335437

IUPAC2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
SMILESCc1cc(N2CCCN(C(=O)C(C)(C)C)CC2)ncn1
InChIInChI=1S/C15H24N4O/c1-12-10-13(17-11-16-12)18-6-5-7-19(9-8-18)14(20)15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyLXYZITAAKUALFN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.87
Rot. Bonds1

About 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one

2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 171335437) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID171335437
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
SMILESCc1cc(N2CCCN(C(=O)C(C)(C)C)CC2)ncn1
InChIInChI=1S/C15H24N4O/c1-12-10-13(17-11-16-12)18-6-5-7-19(9-8-18)14(20)15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyLXYZITAAKUALFN-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70704009
2-(4-chlorophenoxy)-2-methyl-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108755262
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755282
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-cyclopropyl-2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 133297271
1-[4-(6-chloropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 55002987
tert-butyl 4-(6-methoxypyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 171997599
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 121090230
2,2-dimethyl-N-[5-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356185
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
1-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 171334016
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
CID 133355008

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one (CID 171335437) is 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one is Cc1cc(N2CCCN(C(=O)C(C)(C)C)CC2)ncn1.
What is the InChIKey of 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is LXYZITAAKUALFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-10-13(17-11-16-12)18-6-5-7-19(9-8-18)14(20)15(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 171335437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).