6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine

C18H19N5O2S — CID 119049563

IUPAC6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine
SMILESCS(=O)(=O)c1ccc2ncnc(NC3CCN(c4ccccn4)C3)c2c1
InChIInChI=1S/C18H19N5O2S/c1-26(24,25)14-5-6-16-15(10-14)18(21-12-20-16)22-13-7-9-23(11-13)17-4-2-3-8-19-17/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,20,21,22)
InChIKeyNIZBULXMROVRBY-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.12
Rot. Bonds4

About 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine

6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine (PubChem CID 119049563) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine
PubChem CID119049563
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine
SMILESCS(=O)(=O)c1ccc2ncnc(NC3CCN(c4ccccn4)C3)c2c1
InChIInChI=1S/C18H19N5O2S/c1-26(24,25)14-5-6-16-15(10-14)18(21-12-20-16)22-13-7-9-23(11-13)17-4-2-3-8-19-17/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,20,21,22)
InChIKeyNIZBULXMROVRBY-UHFFFAOYSA-N
XLogP2.12
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-N-(1-pyridin-2-ylazetidin-3-yl)quinazolin-4-amine
CID 146079954
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
CID 167848756
N-(1,1-dioxothian-3-yl)-6-methylsulfonylquinazolin-4-amine
CID 154740242
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
CID 95599796
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine
CID 133451671
N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
CID 95599795
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine
CID 90446551
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine?
The IUPAC name of 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine (CID 119049563) is 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine is CS(=O)(=O)c1ccc2ncnc(NC3CCN(c4ccccn4)C3)c2c1.
What is the InChIKey of 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine?
The InChIKey is NIZBULXMROVRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-26(24,25)14-5-6-16-15(10-14)18(21-12-20-16)22-13-7-9-23(11-13)17-4-2-3-8-19-17/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,20,21,22).
What are the key properties of 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine?
6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine has a molecular weight of 369.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine is sourced from PubChem (CID 119049563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).