[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

C13H20N4OS — CID 95763979

IUPAC[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cc(N2CCSCC2)ncn1
InChIInChI=1S/C13H20N4OS/c18-9-11-2-1-3-17(11)13-8-12(14-10-15-13)16-4-6-19-7-5-16/h8,10-11,18H,1-7,9H2/t11-/m0/s1
InChIKeyRAKAHRMWJCWJLF-NSHDSACASA-N
MW280.40 g/mol
LogP0.99
Rot. Bonds3

About [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 95763979) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID95763979
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cc(N2CCSCC2)ncn1
InChIInChI=1S/C13H20N4OS/c18-9-11-2-1-3-17(11)13-8-12(14-10-15-13)16-4-6-19-7-5-16/h8,10-11,18H,1-7,9H2/t11-/m0/s1
InChIKeyRAKAHRMWJCWJLF-NSHDSACASA-N
XLogP0.99
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133300212
1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95764100
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994
4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 95763946
(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95763836
[1-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133479701
[1-[6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 126798700
[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133335943
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 133298249
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 95763979) is [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1cc(N2CCSCC2)ncn1.
What is the InChIKey of [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is RAKAHRMWJCWJLF-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4OS/c18-9-11-2-1-3-17(11)13-8-12(14-10-15-13)16-4-6-19-7-5-16/h8,10-11,18H,1-7,9H2/t11-/m0/s1.
What are the key properties of [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 280.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95763979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).