(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

C17H20N4O2S — CID 97225798

IUPAC(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)C[C@H](c2ccsc2)O1
InChIInChI=1S/C17H20N4O2S/c1-11-8-21(9-15(23-11)13-4-5-24-10-13)17(22)20-14-6-18-16(19-7-14)12-2-3-12/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,20,22)/t11-,15+/m0/s1
InChIKeyBOUYDCCWEHNOPL-XHDPSFHLSA-N
MW344.44 g/mol
LogP3.41
Rot. Bonds3

About (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 97225798) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID97225798
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)C[C@H](c2ccsc2)O1
InChIInChI=1S/C17H20N4O2S/c1-11-8-21(9-15(23-11)13-4-5-24-10-13)17(22)20-14-6-18-16(19-7-14)12-2-3-12/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,20,22)/t11-,15+/m0/s1
InChIKeyBOUYDCCWEHNOPL-XHDPSFHLSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093261
(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97074965
(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97060192
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851920
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 125138480
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 100876796
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851940
2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 136514767
(3-aminocyclopentyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 119810914

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (CID 97225798) is (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)C[C@H](c2ccsc2)O1.
What is the InChIKey of (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is BOUYDCCWEHNOPL-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-8-21(9-15(23-11)13-4-5-24-10-13)17(22)20-14-6-18-16(19-7-14)12-2-3-12/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,20,22)/t11-,15+/m0/s1.
What are the key properties of (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97225798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).