4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine

C17H27N7O2S — CID 70312473

IUPAC4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCC(C)CS(=O)(=O)N1CCC(Nc2nccc(-c3cnn(C)c3N)n2)CC1
InChIInChI=1S/C17H27N7O2S/c1-12(2)11-27(25,26)24-8-5-13(6-9-24)21-17-19-7-4-15(22-17)14-10-20-23(3)16(14)18/h4,7,10,12-13H,5-6,8-9,11,18H2,1-3H3,(H,19,21,22)
InChIKeyXHNOZILLEHUOGY-UHFFFAOYSA-N
MW393.52 g/mol
LogP1.32
Rot. Bonds6

About 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine

4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 70312473) has the molecular formula C17H27N7O2S and a molecular weight of 393.52 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID70312473
Molecular FormulaC17H27N7O2S
Molecular Weight393.52 g/mol
Exact Mass393.19
IUPAC Name4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCC(C)CS(=O)(=O)N1CCC(Nc2nccc(-c3cnn(C)c3N)n2)CC1
InChIInChI=1S/C17H27N7O2S/c1-12(2)11-27(25,26)24-8-5-13(6-9-24)21-17-19-7-4-15(22-17)14-10-20-23(3)16(14)18/h4,7,10,12-13H,5-6,8-9,11,18H2,1-3H3,(H,19,21,22)
InChIKeyXHNOZILLEHUOGY-UHFFFAOYSA-N
XLogP1.32
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(1-aminoethyl)cyclohexyl]-4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-amine;3,4,5-trimethyl-2H-pyrrole
CID 143574935
1-[2-[[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]amino]-2-hydroxyethyl]piperidin-2-one
CID 143575013
1-[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]-3-phenylurea
CID 70313203
1-[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]-3-(2-fluorophenyl)urea
CID 143575034
4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 143575109
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 126558959
1-methyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
CID 69399884
4-[[4-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143575101
N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
CID 54586041
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine
CID 126558969

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine (CID 70312473) is 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine is CC(C)CS(=O)(=O)N1CCC(Nc2nccc(-c3cnn(C)c3N)n2)CC1.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is XHNOZILLEHUOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2S/c1-12(2)11-27(25,26)24-8-5-13(6-9-24)21-17-19-7-4-15(22-17)14-10-20-23(3)16(14)18/h4,7,10,12-13H,5-6,8-9,11,18H2,1-3H3,(H,19,21,22).
What are the key properties of 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine?
4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 393.52 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 70312473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).