2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one

C17H28N4O — CID 90245628

IUPAC2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C)c1cc(NC2CCN(C(=O)C(C)(C)C)CC2)ncn1
InChIInChI=1S/C17H28N4O/c1-12(2)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyMOTDWQGPBOPBSC-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.05
Rot. Bonds3

About 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 90245628) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID90245628
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C)c1cc(NC2CCN(C(=O)C(C)(C)C)CC2)ncn1
InChIInChI=1S/C17H28N4O/c1-12(2)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyMOTDWQGPBOPBSC-UHFFFAOYSA-N
XLogP3.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-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

tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
CID 115620936
N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
CID 144655922
6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 154735994
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
CID 118929980
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
1-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]-3-sulfanylbutan-1-one
CID 170045595
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one (CID 90245628) is 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one is CC(C)c1cc(NC2CCN(C(=O)C(C)(C)C)CC2)ncn1.
What is the InChIKey of 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is MOTDWQGPBOPBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,19,20).
What are the key properties of 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 304.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90245628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).