N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine

C15H24N4O2S — CID 72866042

IUPACN-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(N[C@H]2CN(CCS(C)(=O)=O)C[C@@H]2C2CC2)n1
InChIInChI=1S/C15H24N4O2S/c1-11-16-6-5-15(17-11)18-14-10-19(7-8-22(2,20)21)9-13(14)12-3-4-12/h5-6,12-14H,3-4,7-10H2,1-2H3,(H,16,17,18)/t13-,14+/m1/s1
InChIKeyIHMIUBGHIRXRCW-KGLIPLIRSA-N
MW324.45 g/mol
LogP0.95
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine

N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine (PubChem CID 72866042) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
PubChem CID72866042
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(N[C@H]2CN(CCS(C)(=O)=O)C[C@@H]2C2CC2)n1
InChIInChI=1S/C15H24N4O2S/c1-11-16-6-5-15(17-11)18-14-10-19(7-8-22(2,20)21)9-13(14)12-3-4-12/h5-6,12-14H,3-4,7-10H2,1-2H3,(H,16,17,18)/t13-,14+/m1/s1
InChIKeyIHMIUBGHIRXRCW-KGLIPLIRSA-N
XLogP0.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{rel-(3R,4S)-4-isopropyl-1-[3-(methylthio)propanoyl]-3-pyrrolidinyl}-2-methyl-4-pyrimidinamine hydrochloride
CID 72844975
N~1~-[(3R*,4S*)-4-cyclopropyl-1-(2-methyl-4-pyrimidinyl)-3-pyrrolidinyl]-N~2~-(methylsulfonyl)glycinamide
CID 72846165
2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine
CID 72931711
N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 110259041
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-propanesulfonamide
CID 91923150
N~1~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-YL]-1-butanesulfonamide
CID 91923153
N-[(3R*,4S*)-4-isopropyl-1-(propylsulfonyl)-3-pyrrolidinyl]-2-pyrimidinamine
CID 72868766
N-[rel-(3R,4S)-1-(4-amino-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]methanesulfonamide hydrochloride
CID 72885861
2-[rel-(3R,4S)-3-amino-4-isopropyl-1-pyrrolidinyl]-4-pyrimidinamine dihydrochloride
CID 72905675
N-[rel-(3R,4S)-1-(4-amino-2-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]-3-(methylsulfonyl)propanamide hydrochloride
CID 72909409
2-[rel-(3S,4R)-3-cyclopropyl-4-(dimethylamino)-1-pyrrolidinyl]-N-ethyl-4-pyrimidinamine dihydrochloride
CID 72912216
6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine
CID 138053478

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine (CID 72866042) is N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine is Cc1nccc(N[C@H]2CN(CCS(C)(=O)=O)C[C@@H]2C2CC2)n1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The InChIKey is IHMIUBGHIRXRCW-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11-16-6-5-15(17-11)18-14-10-19(7-8-22(2,20)21)9-13(14)12-3-4-12/h5-6,12-14H,3-4,7-10H2,1-2H3,(H,16,17,18)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 72866042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).