4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine

C19H23N7O2S — CID 143575109

IUPAC4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccccc1S(=O)(=O)N1CCC(Nc2nccc(-c3cn[nH]c3N)n2)CC1
InChIInChI=1S/C19H23N7O2S/c1-13-4-2-3-5-17(13)29(27,28)26-10-7-14(8-11-26)23-19-21-9-6-16(24-19)15-12-22-25-18(15)20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H3,20,22,25)(H,21,23,24)
InChIKeyOAZXCTFGHUOPKR-UHFFFAOYSA-N
MW413.51 g/mol
LogP2.02
Rot. Bonds5

About 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine

4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (PubChem CID 143575109) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
PubChem CID143575109
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccccc1S(=O)(=O)N1CCC(Nc2nccc(-c3cn[nH]c3N)n2)CC1
InChIInChI=1S/C19H23N7O2S/c1-13-4-2-3-5-17(13)29(27,28)26-10-7-14(8-11-26)23-19-21-9-6-16(24-19)15-12-22-25-18(15)20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H3,20,22,25)(H,21,23,24)
InChIKeyOAZXCTFGHUOPKR-UHFFFAOYSA-N
XLogP2.02
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 59564767
N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide
CID 143574848
4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
CID 70312473
N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]methanesulfonamide
CID 44591768
4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 125005055
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
CID 70313921
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 155513601
4-[2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]pyrimidin-4-yl]-3-(4-fluorophenyl)-1-propan-2-ylimidazol-2-one
CID 11497869
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-methylphenyl)methanone
CID 56680002
N-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-4-naphthalen-2-ylpyrimidin-2-amine
CID 68727791

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (CID 143575109) is 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is Cc1ccccc1S(=O)(=O)N1CCC(Nc2nccc(-c3cn[nH]c3N)n2)CC1.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The InChIKey is OAZXCTFGHUOPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-13-4-2-3-5-17(13)29(27,28)26-10-7-14(8-11-26)23-19-21-9-6-16(24-19)15-12-22-25-18(15)20/h2-6,9,12,14H,7-8,10-11H2,1H3,(H3,20,22,25)(H,21,23,24).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine has a molecular weight of 413.51 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 143575109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).