2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine

C15H28N6O2S — CID 72931711

IUPAC2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine
SMILESCCC[C@H]1CN(c2nccc(NCC)n2)C[C@@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H28N6O2S/c1-5-7-12-10-21(11-13(12)19-24(22,23)20(3)4)15-17-9-8-14(18-15)16-6-2/h8-9,12-13,19H,5-7,10-11H2,1-4H3,(H,16,17,18)/t12-,13-/m0/s1
InChIKeyOYFIAVWPNFCWJQ-STQMWFEESA-N
MW356.50 g/mol
LogP0.91
Rot. Bonds8

About 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine

2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine (PubChem CID 72931711) has the molecular formula C15H28N6O2S and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine.

Molecular Properties

Compound Name2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine
PubChem CID72931711
Molecular FormulaC15H28N6O2S
Molecular Weight356.50 g/mol
Exact Mass356.20
IUPAC Name2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine
SMILESCCC[C@H]1CN(c2nccc(NCC)n2)C[C@@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H28N6O2S/c1-5-7-12-10-21(11-13(12)19-24(22,23)20(3)4)15-17-9-8-14(18-15)16-6-2/h8-9,12-13,19H,5-7,10-11H2,1-4H3,(H,16,17,18)/t12-,13-/m0/s1
InChIKeyOYFIAVWPNFCWJQ-STQMWFEESA-N
XLogP0.91
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227148
N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227085
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227179
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227319
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
4-(2-Methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54584343
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 118725542

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine?
The IUPAC name of 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine (CID 72931711) is 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine.
What is the SMILES notation for 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine?
The canonical SMILES for 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine is CCC[C@H]1CN(c2nccc(NCC)n2)C[C@@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine?
The InChIKey is OYFIAVWPNFCWJQ-STQMWFEESA-N. The full InChI is InChI=1S/C15H28N6O2S/c1-5-7-12-10-21(11-13(12)19-24(22,23)20(3)4)15-17-9-8-14(18-15)16-6-2/h8-9,12-13,19H,5-7,10-11H2,1-4H3,(H,16,17,18)/t12-,13-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine?
2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine has a molecular weight of 356.50 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine is sourced from PubChem (CID 72931711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).