6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine

C17H24N4O2S — CID 124843608

IUPAC6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
SMILESCCCN1CC[C@@H](CNc2ncnc3ccc(S(C)(=O)=O)cc23)C1
InChIInChI=1S/C17H24N4O2S/c1-3-7-21-8-6-13(11-21)10-18-17-15-9-14(24(2,22)23)4-5-16(15)19-12-20-17/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyDYTJFUBCWVHXNS-ZDUSSCGKSA-N
MW348.47 g/mol
LogP2.18
Rot. Bonds6

About 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine

6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine (PubChem CID 124843608) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
PubChem CID124843608
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
SMILESCCCN1CC[C@@H](CNc2ncnc3ccc(S(C)(=O)=O)cc23)C1
InChIInChI=1S/C17H24N4O2S/c1-3-7-21-8-6-13(11-21)10-18-17-15-9-14(24(2,22)23)4-5-16(15)19-12-20-17/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyDYTJFUBCWVHXNS-ZDUSSCGKSA-N
XLogP2.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
CID 167848756
N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 97119107
(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
CID 124741788
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119049577
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
CID 124847327
4-[[(6-chloroquinazolin-4-yl)amino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 138988487
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine
CID 125438915
6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine
CID 87021035
N-(1,1-dioxothian-3-yl)-6-methylsulfonylquinazolin-4-amine
CID 154740242

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The IUPAC name of 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine (CID 124843608) is 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine is CCCN1CC[C@@H](CNc2ncnc3ccc(S(C)(=O)=O)cc23)C1.
What is the InChIKey of 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The InChIKey is DYTJFUBCWVHXNS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-7-21-8-6-13(11-21)10-18-17-15-9-14(24(2,22)23)4-5-16(15)19-12-20-17/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine has a molecular weight of 348.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 124843608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).