[1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol

C16H28N4O — CID 50955351

IUPAC[1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
SMILESCc1nc(NCCN2CCCCC2CO)cc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)15-10-16(19-13(3)18-15)17-7-9-20-8-5-4-6-14(20)11-21/h10,12,14,21H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyADENQBPKQNGXGX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.17
Rot. Bonds6

About [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol

[1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol (PubChem CID 50955351) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
PubChem CID50955351
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
SMILESCc1nc(NCCN2CCCCC2CO)cc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)15-10-16(19-13(3)18-15)17-7-9-20-8-5-4-6-14(20)11-21/h10,12,14,21H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyADENQBPKQNGXGX-UHFFFAOYSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

(3S,4S)-1-(2-amino-6-cyclopentylpyrimidin-4-yl)-4-(methylamino)pyrrolidin-3-ol
CID 24994636
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
N-ethyl-2-methyl-6-piperidin-4-yl-N-propylpyrimidin-4-amine
CID 56722629
(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
trans-4-{[1-(2-Methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino}cyclohexanol
CID 72849212
6-isopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 72851576
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727
rel-(3R,4S)-4-cyclopropyl-1-[6-ethyl-2-(4-morpholinyl)-4-pyrimidinyl]-3-pyrrolidinamine dihydrochloride
CID 72873173
1-Methyl-4-({[1-(2-methyl-6-propylpyrimidin-4-YL)piperidin-4-YL]amino}methyl)piperidin-4-OL
CID 72874533
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

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol (CID 50955351) is [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol is Cc1nc(NCCN2CCCCC2CO)cc(C(C)C)n1.
What is the InChIKey of [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is ADENQBPKQNGXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)15-10-16(19-13(3)18-15)17-7-9-20-8-5-4-6-14(20)11-21/h10,12,14,21H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
[1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 50955351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).