N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine

C14H24N4O2S — CID 72868766

IUPACN-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine
SMILESCCCS(=O)(=O)N1C[C@H](Nc2ncccn2)[C@@H](C(C)C)C1
InChIInChI=1S/C14H24N4O2S/c1-4-8-21(19,20)18-9-12(11(2)3)13(10-18)17-14-15-6-5-7-16-14/h5-7,11-13H,4,8-10H2,1-3H3,(H,15,16,17)/t12-,13+/m1/s1
InChIKeyMZSVFWGYQUOXPS-OLZOCXBDSA-N
MW312.44 g/mol
LogP1.58
Rot. Bonds6

About N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine

N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 72868766) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID72868766
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine
SMILESCCCS(=O)(=O)N1C[C@H](Nc2ncccn2)[C@@H](C(C)C)C1
InChIInChI=1S/C14H24N4O2S/c1-4-8-21(19,20)18-9-12(11(2)3)13(10-18)17-14-15-6-5-7-16-14/h5-7,11-13H,4,8-10H2,1-3H3,(H,15,16,17)/t12-,13+/m1/s1
InChIKeyMZSVFWGYQUOXPS-OLZOCXBDSA-N
XLogP1.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{(3R*,4S*)-4-isopropyl-1-[4-(trifluoromethyl)-2-pyrimidinyl]-3-pyrrolidinyl}methanesulfonamide
CID 70710576
N~1~-[(3R*,4S*)-4-cyclopropyl-1-(2-methyl-4-pyrimidinyl)-3-pyrrolidinyl]-N~2~-(methylsulfonyl)glycinamide
CID 72846165
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 72866042
N'-[(3S*,4R*)-1-(5-fluoro-2-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]-N,N-dimethylsulfamide
CID 72879774
2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine
CID 72931711
(3aR,8aR)-2-ethyl-6-pyrimidin-2-yl-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine 1,1-dioxide
CID 97441068
(3aR,8aR)-2-(2-methylpropyl)-6-pyrimidin-2-yl-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine 1,1-dioxide
CID 97441138
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-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide
CID 53185809
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}cyclopropanesulfonamide
CID 71779881

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine (CID 72868766) is N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine is CCCS(=O)(=O)N1C[C@H](Nc2ncccn2)[C@@H](C(C)C)C1.
What is the InChIKey of N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is MZSVFWGYQUOXPS-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-8-21(19,20)18-9-12(11(2)3)13(10-18)17-14-15-6-5-7-16-14/h5-7,11-13H,4,8-10H2,1-3H3,(H,15,16,17)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine?
N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-propan-2-yl-1-propylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 72868766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).