N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine

C14H24N4O2S — CID 164633475

IUPACN-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine
SMILESCCCCS(=O)(=O)N1CC[C@H](CNc2nccc(C)n2)C1
InChIInChI=1S/C14H24N4O2S/c1-3-4-9-21(19,20)18-8-6-13(11-18)10-16-14-15-7-5-12(2)17-14/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,15,16,17)/t13-/m1/s1
InChIKeyRHRZCZCTDDIMHM-CYBMUJFWSA-N
MW312.44 g/mol
LogP1.65
Rot. Bonds7

About N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine

N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine (PubChem CID 164633475) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine
PubChem CID164633475
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine
SMILESCCCCS(=O)(=O)N1CC[C@H](CNc2nccc(C)n2)C1
InChIInChI=1S/C14H24N4O2S/c1-3-4-9-21(19,20)18-8-6-13(11-18)10-16-14-15-7-5-12(2)17-14/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,15,16,17)/t13-/m1/s1
InChIKeyRHRZCZCTDDIMHM-CYBMUJFWSA-N
XLogP1.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine (CID 164633475) is N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine is CCCCS(=O)(=O)N1CC[C@H](CNc2nccc(C)n2)C1.
What is the InChIKey of N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine?
The InChIKey is RHRZCZCTDDIMHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-4-9-21(19,20)18-8-6-13(11-18)10-16-14-15-7-5-12(2)17-14/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,15,16,17)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine?
N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 164633475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).