cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone

C15H22N4O — CID 47156722

IUPACcyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(C)nc(NC2CCN(C(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H22N4O/c1-10-9-11(2)17-15(16-10)18-13-5-7-19(8-6-13)14(20)12-3-4-12/h9,12-13H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyBBXMILFEARIKJU-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.91
Rot. Bonds3

About cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone

cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 47156722) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID47156722
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Namecyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(C)nc(NC2CCN(C(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H22N4O/c1-10-9-11(2)17-15(16-10)18-13-5-7-19(8-6-13)14(20)12-3-4-12/h9,12-13H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyBBXMILFEARIKJU-UHFFFAOYSA-N
XLogP1.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 32651890
1-[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194079
cyclopentyl-[4-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 72900199
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
ethyl 4-[[4-(diethylcarbamoyl)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109331937
cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95842373
[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 56557141
[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
ethyl 4-[[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112908519

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone (CID 47156722) is cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone is Cc1cc(C)nc(NC2CCN(C(=O)C3CC3)CC2)n1.
What is the InChIKey of cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is BBXMILFEARIKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-9-11(2)17-15(16-10)18-13-5-7-19(8-6-13)14(20)12-3-4-12/h9,12-13H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 47156722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).