[4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol

C9H12ClN3OS — CID 130951943

IUPAC[4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol
SMILESOCC1CSCCN1c1ccnc(Cl)n1
InChIInChI=1S/C9H12ClN3OS/c10-9-11-2-1-8(12-9)13-3-4-15-6-7(13)5-14/h1-2,7,14H,3-6H2
InChIKeyDASLDLKWGUSAGA-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.04
Rot. Bonds2

About [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol

[4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol (PubChem CID 130951943) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol
PubChem CID130951943
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name[4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol
SMILESOCC1CSCCN1c1ccnc(Cl)n1
InChIInChI=1S/C9H12ClN3OS/c10-9-11-2-1-8(12-9)13-3-4-15-6-7(13)5-14/h1-2,7,14H,3-6H2
InChIKeyDASLDLKWGUSAGA-UHFFFAOYSA-N
XLogP1.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
2-[4-(6-chloropyrazin-2-yl)thiomorpholin-3-yl]acetic acid
CID 114335466
2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
CID 141444822
[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]thiomorpholin-3-yl]methanol
CID 131052547
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
2-[4-(4-methoxypyrimidin-2-yl)thiomorpholin-3-yl]acetic acid
CID 66442944
2-[4-(3-methylpyrazin-2-yl)thiomorpholin-3-yl]acetic acid
CID 83063382
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770
3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one
CID 132608317
2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 103761496

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol?
The IUPAC name of [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol (CID 130951943) is [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol.
What is the SMILES notation for [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol?
The canonical SMILES for [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol is OCC1CSCCN1c1ccnc(Cl)n1.
What is the InChIKey of [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol?
The InChIKey is DASLDLKWGUSAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c10-9-11-2-1-8(12-9)13-3-4-15-6-7(13)5-14/h1-2,7,14H,3-6H2.
What are the key properties of [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol?
[4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol has a molecular weight of 245.73 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol is sourced from PubChem (CID 130951943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).