7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine

C19H22N6O2S — CID 171682813

IUPAC7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3ccc(-c4cccnc4N)cc3n2)CC1
InChIInChI=1S/C19H22N6O2S/c1-28(26,27)25-9-6-15(7-10-25)23-19-22-12-14-5-4-13(11-17(14)24-19)16-3-2-8-21-18(16)20/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H2,20,21)(H,22,23,24)
InChIKeyIVDFRHWKVAOFPB-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.11
Rot. Bonds4

About 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine

7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine (PubChem CID 171682813) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
PubChem CID171682813
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2ncc3ccc(-c4cccnc4N)cc3n2)CC1
InChIInChI=1S/C19H22N6O2S/c1-28(26,27)25-9-6-15(7-10-25)23-19-22-12-14-5-4-13(11-17(14)24-19)16-3-2-8-21-18(16)20/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H2,20,21)(H,22,23,24)
InChIKeyIVDFRHWKVAOFPB-UHFFFAOYSA-N
XLogP2.11
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methylphenyl)methanone
CID 56680002
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 138587014
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551699
8-(4-cyclopropylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine
CID 170740243
N-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-4-naphthalen-2-ylpyrimidin-2-amine
CID 68727791
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054
6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 164925501
8-[(1S,2S,3S)-3-hydroxy-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253161
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine?
The IUPAC name of 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine (CID 171682813) is 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine?
The canonical SMILES for 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine is CS(=O)(=O)N1CCC(Nc2ncc3ccc(-c4cccnc4N)cc3n2)CC1.
What is the InChIKey of 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine?
The InChIKey is IVDFRHWKVAOFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-28(26,27)25-9-6-15(7-10-25)23-19-22-12-14-5-4-13(11-17(14)24-19)16-3-2-8-21-18(16)20/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H2,20,21)(H,22,23,24).
What are the key properties of 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine?
7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine has a molecular weight of 398.49 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-3-pyridinyl)-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-2-amine is sourced from PubChem (CID 171682813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).