6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine

C15H21N5O2S — CID 138053478

IUPAC6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCS(=O)(=O)C1CCC(CNc2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C15H21N5O2S/c1-23(21,22)13-4-2-12(3-5-13)9-17-14-8-15(19-10-18-14)20-7-6-16-11-20/h6-8,10-13H,2-5,9H2,1H3,(H,17,18,19)
InChIKeyMDJGMEPHGBIFSR-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.68
Rot. Bonds5

About 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine

6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 138053478) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID138053478
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCS(=O)(=O)C1CCC(CNc2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C15H21N5O2S/c1-23(21,22)13-4-2-12(3-5-13)9-17-14-8-15(19-10-18-14)20-7-6-16-11-20/h6-8,10-13H,2-5,9H2,1H3,(H,17,18,19)
InChIKeyMDJGMEPHGBIFSR-UHFFFAOYSA-N
XLogP1.68
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-Methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54584343
4-(2-Methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 54584344
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 72866042
N-[(8S)-5,5-dioxo-5lambda6-thiaspiro[3.5]nonan-8-yl]-6-imidazol-1-ylpyrimidin-4-amine
CID 171359289
2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide
CID 70770808
N-(cyclohexylmethyl)-4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N-methylpyrimidin-2-amine
CID 70780527
N-[(3-methylsulfonylcyclohexyl)-pyrimidin-2-ylmethyl]ethanamine
CID 80061637
N-[(3-methylsulfonylcyclohexyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 80061638
N-methyl-1-(3-methylsulfonylcyclohexyl)-1-pyrimidin-2-ylmethanamine
CID 80061831
N~4~-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}-2,4-pyrimidinediamine dihydrochloride
CID 86283181
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 86283242
N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)cyclohexanesulfonamide
CID 90588988

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine (CID 138053478) is 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine is CS(=O)(=O)C1CCC(CNc2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is MDJGMEPHGBIFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-23(21,22)13-4-2-12(3-5-13)9-17-14-8-15(19-10-18-14)20-7-6-16-11-20/h6-8,10-13H,2-5,9H2,1H3,(H,17,18,19).
What are the key properties of 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine?
6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine has a molecular weight of 335.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 138053478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).