2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine

C17H25N5O2S — CID 126798090

IUPAC2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
SMILESCCCCS(=O)(=O)N1CCC(CNc2nc(N)c3ccccc3n2)C1
InChIInChI=1S/C17H25N5O2S/c1-2-3-10-25(23,24)22-9-8-13(12-22)11-19-17-20-15-7-5-4-6-14(15)16(18)21-17/h4-7,13H,2-3,8-12H2,1H3,(H3,18,19,20,21)
InChIKeyCDSLMMBRIOQMDB-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.08
Rot. Bonds7

About 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine

2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine (PubChem CID 126798090) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
PubChem CID126798090
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
SMILESCCCCS(=O)(=O)N1CCC(CNc2nc(N)c3ccccc3n2)C1
InChIInChI=1S/C17H25N5O2S/c1-2-3-10-25(23,24)22-9-8-13(12-22)11-19-17-20-15-7-5-4-6-14(15)16(18)21-17/h4-7,13H,2-3,8-12H2,1H3,(H3,18,19,20,21)
InChIKeyCDSLMMBRIOQMDB-UHFFFAOYSA-N
XLogP2.08
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide
CID 54336348
2-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinazoline-2,4-diamine
CID 133486693
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride
CID 67720129
N-[[5-[[(4-aminoquinazolin-2-yl)amino]methyl]-1-benzylpiperidin-2-yl]methyl]benzenesulfonamide
CID 70183084
methyl 2-[(1-butylsulfonylpyrrolidin-3-yl)methyl]benzoate
CID 166614035
[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl-naphthalen-1-ylsulfamic acid;hydrochloride
CID 141246475
2-N-[1-[(1-butylsulfonylpiperidin-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172341
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
CID 160565396
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine (CID 126798090) is 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine is CCCCS(=O)(=O)N1CCC(CNc2nc(N)c3ccccc3n2)C1.
What is the InChIKey of 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is CDSLMMBRIOQMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-2-3-10-25(23,24)22-9-8-13(12-22)11-19-17-20-15-7-5-4-6-14(15)16(18)21-17/h4-7,13H,2-3,8-12H2,1H3,(H3,18,19,20,21).
What are the key properties of 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 363.49 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-butylsulfonylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 126798090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).