4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

C20H32N6O — CID 133492339

IUPAC4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NC3CCN(C4CCCCC4)CC3)ncn2)CC1=O
InChIInChI=1S/C20H32N6O/c1-24-11-12-26(14-20(24)27)19-13-18(21-15-22-19)23-16-7-9-25(10-8-16)17-5-3-2-4-6-17/h13,15-17H,2-12,14H2,1H3,(H,21,22,23)
InChIKeyMIYCPULYBWHOMT-UHFFFAOYSA-N
MW372.52 g/mol
LogP1.96
Rot. Bonds4

About 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133492339) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133492339
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(NC3CCN(C4CCCCC4)CC3)ncn2)CC1=O
InChIInChI=1S/C20H32N6O/c1-24-11-12-26(14-20(24)27)19-13-18(21-15-22-19)23-16-7-9-25(10-8-16)17-5-3-2-4-6-17/h13,15-17H,2-12,14H2,1H3,(H,21,22,23)
InChIKeyMIYCPULYBWHOMT-UHFFFAOYSA-N
XLogP1.96
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one with MolForge

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Related Compounds

1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 129398746
4-[6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464354
1-methyl-4-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 133464234
4-[6-[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 127922109
1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 133492404
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 167761700
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652956
N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708
1-(4-cyclohexylpiperazin-1-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propan-1-one
CID 53174511

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133492339) is 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is CN1CCN(c2cc(NC3CCN(C4CCCCC4)CC3)ncn2)CC1=O.
What is the InChIKey of 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is MIYCPULYBWHOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-24-11-12-26(14-20(24)27)19-13-18(21-15-22-19)23-16-7-9-25(10-8-16)17-5-3-2-4-6-17/h13,15-17H,2-12,14H2,1H3,(H,21,22,23).
What are the key properties of 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 372.52 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133492339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).