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

C18H29N5O3 — CID 56886907

IUPAC(2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCN(C(=O)[C@@H](N)[C@@H](C)O)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H29N5O3/c1-12(24)17(19)18(25)23-5-3-14(4-6-23)15-11-16(21-13(2)20-15)22-7-9-26-10-8-22/h11-12,14,17,24H,3-10,19H2,1-2H3/t12-,17+/m1/s1
InChIKeyGYDDSGCUPNLWMI-PXAZEXFGSA-N
MW363.46 g/mol
LogP0.04
Rot. Bonds4

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

(2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (PubChem CID 56886907) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
PubChem CID56886907
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCN(C(=O)[C@@H](N)[C@@H](C)O)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H29N5O3/c1-12(24)17(19)18(25)23-5-3-14(4-6-23)15-11-16(21-13(2)20-15)22-7-9-26-10-8-22/h11-12,14,17,24H,3-10,19H2,1-2H3/t12-,17+/m1/s1
InChIKeyGYDDSGCUPNLWMI-PXAZEXFGSA-N
XLogP0.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56710094
N-ethyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}propanamide
CID 56886571
2-{4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56895028
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56903888
N-cyclopropyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56910246
(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
2-{3-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56915341
4-{6-[1-(Isopropoxyacetyl)-4-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70709841
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanamine
CID 70751277
4-{2-Methyl-6-[1-(2-methylpentanoyl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 70758953
2-(2-Oxo-2-{4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}ethyl)morpholine
CID 70787883
4-{6-[1-(3-Ethoxypropanoyl)-3-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70775984

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (CID 56886907) is (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is Cc1nc(C2CCN(C(=O)[C@@H](N)[C@@H](C)O)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The InChIKey is GYDDSGCUPNLWMI-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-12(24)17(19)18(25)23-5-3-14(4-6-23)15-11-16(21-13(2)20-15)22-7-9-26-10-8-22/h11-12,14,17,24H,3-10,19H2,1-2H3/t12-,17+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
(2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one has a molecular weight of 363.46 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 56886907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).