2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol

C17H29N5O — CID 98771300

IUPAC2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol
SMILESCc1cc(N2CCN(C3CCCCC3)[C@@H](CCO)C2)nc(N)n1
InChIInChI=1S/C17H29N5O/c1-13-11-16(20-17(18)19-13)21-8-9-22(15(12-21)7-10-23)14-5-3-2-4-6-14/h11,14-15,23H,2-10,12H2,1H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyVPBFZLPVBCYHBB-HNNXBMFYSA-N
MW319.45 g/mol
LogP1.57
Rot. Bonds4

About 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol

2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol (PubChem CID 98771300) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol
PubChem CID98771300
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol
SMILESCc1cc(N2CCN(C3CCCCC3)[C@@H](CCO)C2)nc(N)n1
InChIInChI=1S/C17H29N5O/c1-13-11-16(20-17(18)19-13)21-8-9-22(15(12-21)7-10-23)14-5-3-2-4-6-14/h11,14-15,23H,2-10,12H2,1H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyVPBFZLPVBCYHBB-HNNXBMFYSA-N
XLogP1.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-Dimethylpyrimidin-4-yl)piperidin-3-ol
CID 6488733
[4-Methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
CID 121561616
N-cyclohexyl-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 697251
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-ol
CID 40145619
trans-4-{[1-(2-Methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino}cyclohexanol
CID 72849212
1-[6-Methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 110271365
2-[4-(2-Amino-6-methyl-4-pyrimidinyl)-1-(cyclohexylmethyl)-2-piperazinyl]ethanol
CID 56900266
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504432
(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95353403
(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol
CID 97188302
2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98741245
2-[(2S)-4-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98759876

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol (CID 98771300) is 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol is Cc1cc(N2CCN(C3CCCCC3)[C@@H](CCO)C2)nc(N)n1.
What is the InChIKey of 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol?
The InChIKey is VPBFZLPVBCYHBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13-11-16(20-17(18)19-13)21-8-9-22(15(12-21)7-10-23)14-5-3-2-4-6-14/h11,14-15,23H,2-10,12H2,1H3,(H2,18,19,20)/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol?
2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol has a molecular weight of 319.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol is sourced from PubChem (CID 98771300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).