(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one

C19H30N4O3 — CID 95866877

IUPAC(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCN(C(=O)[C@@H](O)C(C)C)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H30N4O3/c1-13(2)18(24)19(25)23-6-4-15(5-7-23)16-12-17(21-14(3)20-16)22-8-10-26-11-9-22/h12-13,15,18,24H,4-11H2,1-3H3/t18-/m0/s1
InChIKeyIQRZPTSMSZIJJP-SFHVURJKSA-N
MW362.47 g/mol
LogP1.34
Rot. Bonds4

About (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one

(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (PubChem CID 95866877) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
PubChem CID95866877
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCN(C(=O)[C@@H](O)C(C)C)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H30N4O3/c1-13(2)18(24)19(25)23-6-4-15(5-7-23)16-12-17(21-14(3)20-16)22-8-10-26-11-9-22/h12-13,15,18,24H,4-11H2,1-3H3/t18-/m0/s1
InChIKeyIQRZPTSMSZIJJP-SFHVURJKSA-N
XLogP1.34
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
CID 95883020
[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95897837
N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56908006
N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
CID 56906505
[(3R)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95867832
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096
2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 70753175
1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one
CID 70741044
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(5-methyl-1H-imidazol-4-yl)-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70758157
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (CID 95866877) is (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is Cc1nc(C2CCN(C(=O)[C@@H](O)C(C)C)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The InChIKey is IQRZPTSMSZIJJP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13(2)18(24)19(25)23-6-4-15(5-7-23)16-12-17(21-14(3)20-16)22-8-10-26-11-9-22/h12-13,15,18,24H,4-11H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one has a molecular weight of 362.47 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95866877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).