2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol

C18H30N4O3 — CID 126425917

IUPAC2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1
InChIInChI=1S/C18H30N4O3/c1-18(2,24)14-3-7-22(8-4-14)16-11-15(13-5-10-25-12-13)20-17(21-16)19-6-9-23/h11,13-14,23-24H,3-10,12H2,1-2H3,(H,19,20,21)/t13-/m1/s1
InChIKeyJUNOQIKWNKOLAQ-CYBMUJFWSA-N
MW350.46 g/mol
LogP1.37
Rot. Bonds6

About 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol

2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol (PubChem CID 126425917) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol
PubChem CID126425917
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1
InChIInChI=1S/C18H30N4O3/c1-18(2,24)14-3-7-22(8-4-14)16-11-15(13-5-10-25-12-13)20-17(21-16)19-6-9-23/h11,13-14,23-24H,3-10,12H2,1-2H3,(H,19,20,21)/t13-/m1/s1
InChIKeyJUNOQIKWNKOLAQ-CYBMUJFWSA-N
XLogP1.37
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol with MolForge

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Related Compounds

2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol
CID 126452524
2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126446709
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
2-[[4-[(3R)-oxolan-3-yl]-6-(4-propylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126424481
2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119065362
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126435809
cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 126444272
2-[[4-(2,2-diethylmorpholin-4-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126436985
2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060057
2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126440634

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol (CID 126425917) is 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1.
What is the InChIKey of 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol?
The InChIKey is JUNOQIKWNKOLAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-18(2,24)14-3-7-22(8-4-14)16-11-15(13-5-10-25-12-13)20-17(21-16)19-6-9-23/h11,13-14,23-24H,3-10,12H2,1-2H3,(H,19,20,21)/t13-/m1/s1.
What are the key properties of 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol?
2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol has a molecular weight of 350.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 126425917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).