4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine

C17H26ClN3O3S — CID 163901660

IUPAC4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)(c1cc(N2CCOCC2)nc(Cl)n1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H26ClN3O3S/c1-17(2,25(22,23)13-6-4-3-5-7-13)14-12-15(20-16(18)19-14)21-8-10-24-11-9-21/h12-13H,3-11H2,1-2H3
InChIKeyQKJNTVBPVKUQBA-UHFFFAOYSA-N
MW387.93 g/mol
LogP2.95
Rot. Bonds4

About 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine

4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine (PubChem CID 163901660) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
PubChem CID163901660
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)(c1cc(N2CCOCC2)nc(Cl)n1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H26ClN3O3S/c1-17(2,25(22,23)13-6-4-3-5-7-13)14-12-15(20-16(18)19-14)21-8-10-24-11-9-21/h12-13H,3-11H2,1-2H3
InChIKeyQKJNTVBPVKUQBA-UHFFFAOYSA-N
XLogP2.95
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-[4-[4-(2-cyclopentylsulfonylpropan-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
CID 143633032
4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
CID 147484596
4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
CID 175051525
4-[4-(2-cyclopropylsulfonylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline
CID 59380128
2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol
CID 87522921
4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine
CID 155758423
imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane
CID 166756320
4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562532
4-[2-chloro-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 174644321
1-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-1-prop-2-enylsulfonylethanol
CID 174618883
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562342
4-(3-chloro-4-cyclopentylsulfonylphenyl)morpholine
CID 90106436

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine (CID 163901660) is 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine is CC(C)(c1cc(N2CCOCC2)nc(Cl)n1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The InChIKey is QKJNTVBPVKUQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3S/c1-17(2,25(22,23)13-6-4-3-5-7-13)14-12-15(20-16(18)19-14)21-8-10-24-11-9-21/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine has a molecular weight of 387.93 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 163901660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).