N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C19H25F3N6O2S — CID 90404785

IUPACN-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3cc(C(F)(F)F)ncn3)C(C3CCCCC3)C2)c1
InChIInChI=1S/C19H25F3N6O2S/c1-27-10-18(25-12-27)31(29,30)28-8-14(13-5-3-2-4-6-13)15(9-28)26-17-7-16(19(20,21)22)23-11-24-17/h7,10-15H,2-6,8-9H2,1H3,(H,23,24,26)
InChIKeyOUCBSLMRBJCRCR-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.91
Rot. Bonds5

About N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 90404785) has the molecular formula C19H25F3N6O2S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID90404785
Molecular FormulaC19H25F3N6O2S
Molecular Weight458.51 g/mol
Exact Mass458.17
IUPAC NameN-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3cc(C(F)(F)F)ncn3)C(C3CCCCC3)C2)c1
InChIInChI=1S/C19H25F3N6O2S/c1-27-10-18(25-12-27)31(29,30)28-8-14(13-5-3-2-4-6-13)15(9-28)26-17-7-16(19(20,21)22)23-11-24-17/h7,10-15H,2-6,8-9H2,1H3,(H,23,24,26)
InChIKeyOUCBSLMRBJCRCR-UHFFFAOYSA-N
XLogP2.91
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 90406432
CID 90406432
CID 90404318
CID 90404318
CID 90404339
CID 90404339
CID 90404633
CID 90404633
CID 90404787
CID 90404787
CID 90405165
CID 90405165
CID 90405632
CID 90405632
CID 90406066
CID 90406066
CID 90406477
CID 90406477
CID 90406715
CID 90406715
CID 90406894
CID 90406894
CID 90404190
CID 90404190

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 90404785) is N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cn1cnc(S(=O)(=O)N2CC(Nc3cc(C(F)(F)F)ncn3)C(C3CCCCC3)C2)c1.
What is the InChIKey of N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OUCBSLMRBJCRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O2S/c1-27-10-18(25-12-27)31(29,30)28-8-14(13-5-3-2-4-6-13)15(9-28)26-17-7-16(19(20,21)22)23-11-24-17/h7,10-15H,2-6,8-9H2,1H3,(H,23,24,26).
What are the key properties of N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 458.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclohexyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 90404785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).