6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile

C14H14N4OS — CID 99778550

IUPAC6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
SMILESC[C@H]1CN(c2cc(C#N)ncn2)C[C@H](c2ccsc2)O1
InChIInChI=1S/C14H14N4OS/c1-10-6-18(14-4-12(5-15)16-9-17-14)7-13(19-10)11-2-3-20-8-11/h2-4,8-10,13H,6-7H2,1H3/t10-,13+/m0/s1
InChIKeySYFUDBKXSFYGIS-GXFFZTMASA-N
MW286.36 g/mol
LogP2.38
Rot. Bonds2

About 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile

6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile (PubChem CID 99778550) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
PubChem CID99778550
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
SMILESC[C@H]1CN(c2cc(C#N)ncn2)C[C@H](c2ccsc2)O1
InChIInChI=1S/C14H14N4OS/c1-10-6-18(14-4-12(5-15)16-9-17-14)7-13(19-10)11-2-3-20-8-11/h2-4,8-10,13H,6-7H2,1H3/t10-,13+/m0/s1
InChIKeySYFUDBKXSFYGIS-GXFFZTMASA-N
XLogP2.38
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 133379222
4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133490501
4-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218
(2S,6R)-4-(5-fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 124851478
(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine
CID 99107655
(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 99716093
2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
CID 133379191
4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379376
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133379346
4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379345
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-3-sulfonamide
CID 133379318
1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
CID 127019238

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile (CID 99778550) is 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile is C[C@H]1CN(c2cc(C#N)ncn2)C[C@H](c2ccsc2)O1.
What is the InChIKey of 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile?
The InChIKey is SYFUDBKXSFYGIS-GXFFZTMASA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10-6-18(14-4-12(5-15)16-9-17-14)7-13(19-10)11-2-3-20-8-11/h2-4,8-10,13H,6-7H2,1H3/t10-,13+/m0/s1.
What are the key properties of 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile?
6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 99778550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).