2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol

C18H30N4O — CID 133472742

IUPAC2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCCc1cc(NC2CCN(C3CCCCC3O)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-3-14-12-18(20-13(2)19-14)21-15-8-10-22(11-9-15)16-6-4-5-7-17(16)23/h12,15-17,23H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyYXXLREKOHWTMEA-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133472742) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID133472742
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCCc1cc(NC2CCN(C3CCCCC3O)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-3-14-12-18(20-13(2)19-14)21-15-8-10-22(11-9-15)16-6-4-5-7-17(16)23/h12,15-17,23H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyYXXLREKOHWTMEA-UHFFFAOYSA-N
XLogP2.53
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

trans-4-{[1-(2-Methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino}cyclohexanol
CID 72849212
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727
1-Methyl-4-({[1-(2-methyl-6-propylpyrimidin-4-YL)piperidin-4-YL]amino}methyl)piperidin-4-OL
CID 72874533
1-[(6-Ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 72886771
1-(2-methyl-6-propylpyrimidin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 72911423
1-({[1-(2-Methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino}methyl)cyclohexanol
CID 72914509
4-ethyl-N,N-dimethyl-6-[4-(tetrahydro-2H-pyran-4-ylamino)piperidin-1-yl]pyrimidin-2-amine
CID 72939023
2-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
CID 110090207
2-[Ethyl-[2-(octylamino)-6-propyl-pyrimidin-4-yl]amino]ethanol
CID 5276784
N-(2-Isopropoxyethyl)-1-(2-methyl-6-propylpyrimidin-4-YL)piperidin-4-amine
CID 72854593
1-(2-{[6-(3-Hydroxycyclobutyl)-2-methylpyrimidin-4-YL]amino}ethyl)piperidin-4-OL
CID 91762966
(3S*,4S*)-4-(4-methylpiperazin-1-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)pyrrolidin-3-ol
CID 50948975

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol (CID 133472742) is 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol is CCc1cc(NC2CCN(C3CCCCC3O)CC2)nc(C)n1.
What is the InChIKey of 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is YXXLREKOHWTMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-14-12-18(20-13(2)19-14)21-15-8-10-22(11-9-15)16-6-4-5-7-17(16)23/h12,15-17,23H,3-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 318.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133472742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).