2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol

C19H33N5O2 — CID 126451906

IUPAC2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol
SMILESCC1(C)CC(Nc2cc([C@H]3CCOC3)nc(NCCO)n2)CC(C)(C)N1
InChIInChI=1S/C19H33N5O2/c1-18(2)10-14(11-19(3,4)24-18)21-16-9-15(13-5-8-26-12-13)22-17(23-16)20-6-7-25/h9,13-14,24-25H,5-8,10-12H2,1-4H3,(H2,20,21,22,23)/t13-/m0/s1
InChIKeyCHLMPIDTJCNGOD-ZDUSSCGKSA-N
MW363.51 g/mol
LogP2.11
Rot. Bonds6

About 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol

2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol (PubChem CID 126451906) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol
PubChem CID126451906
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol
SMILESCC1(C)CC(Nc2cc([C@H]3CCOC3)nc(NCCO)n2)CC(C)(C)N1
InChIInChI=1S/C19H33N5O2/c1-18(2)10-14(11-19(3,4)24-18)21-16-9-15(13-5-8-26-12-13)22-17(23-16)20-6-7-25/h9,13-14,24-25H,5-8,10-12H2,1-4H3,(H2,20,21,22,23)/t13-/m0/s1
InChIKeyCHLMPIDTJCNGOD-ZDUSSCGKSA-N
XLogP2.11
TPSA91.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425
2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
CID 119069260
2-[[4-(oxan-4-ylmethylamino)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119061466
1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol
CID 119074070
2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126440634
2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119068356
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619
2-[[4-[(3-chlorophenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430107
2-[[4-[2-(3-methylthiophen-2-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118765909
2-[[4-(1H-indol-2-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126428211
2-[[4-(1H-indol-4-ylmethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425999
2-[[4-[methyl(oxan-4-yl)amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060055

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol (CID 126451906) is 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol is CC1(C)CC(Nc2cc([C@H]3CCOC3)nc(NCCO)n2)CC(C)(C)N1.
What is the InChIKey of 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol?
The InChIKey is CHLMPIDTJCNGOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-18(2)10-14(11-19(3,4)24-18)21-16-9-15(13-5-8-26-12-13)22-17(23-16)20-6-7-25/h9,13-14,24-25H,5-8,10-12H2,1-4H3,(H2,20,21,22,23)/t13-/m0/s1.
What are the key properties of 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol?
2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol has a molecular weight of 363.51 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126451906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).