1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one

C18H29N5O3 — CID 126430569

IUPAC1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
SMILESCN(CCN1CCCCC1=O)c1cc([C@@H]2CCOC2)nc(NCCO)n1
InChIInChI=1S/C18H29N5O3/c1-22(8-9-23-7-3-2-4-17(23)25)16-12-15(14-5-11-26-13-14)20-18(21-16)19-6-10-24/h12,14,24H,2-11,13H2,1H3,(H,19,20,21)/t14-/m1/s1
InChIKeyQELOAIXGSFFFAK-CQSZACIVSA-N
MW363.46 g/mol
LogP0.83
Rot. Bonds8

About 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one

1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one (PubChem CID 126430569) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
PubChem CID126430569
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
SMILESCN(CCN1CCCCC1=O)c1cc([C@@H]2CCOC2)nc(NCCO)n1
InChIInChI=1S/C18H29N5O3/c1-22(8-9-23-7-3-2-4-17(23)25)16-12-15(14-5-11-26-13-14)20-18(21-16)19-6-10-24/h12,14,24H,2-11,13H2,1H3,(H,19,20,21)/t14-/m1/s1
InChIKeyQELOAIXGSFFFAK-CQSZACIVSA-N
XLogP0.83
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one with MolForge

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Related Compounds

2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126442629
2-[[4-[methyl(oxan-4-yl)amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060055
2-[[4-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425716
2-[[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425143
2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol
CID 119073055
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619
2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118775037
2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118781186
2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126437837
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
CID 119069260

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one (CID 126430569) is 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one is CN(CCN1CCCCC1=O)c1cc([C@@H]2CCOC2)nc(NCCO)n1.
What is the InChIKey of 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one?
The InChIKey is QELOAIXGSFFFAK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-22(8-9-23-7-3-2-4-17(23)25)16-12-15(14-5-11-26-13-14)20-18(21-16)19-6-10-24/h12,14,24H,2-11,13H2,1H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one?
1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one is sourced from PubChem (CID 126430569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).