2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine

C15H23N7O2S — CID 141138891

IUPAC2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2nccc(N)n2)CC1
InChIInChI=1S/C15H23N7O2S/c1-10-14(11(2)21(3)20-10)25(23,24)22-8-5-12(6-9-22)18-15-17-7-4-13(16)19-15/h4,7,12H,5-6,8-9H2,1-3H3,(H3,16,17,18,19)
InChIKeyBMFIEBOWFGOKPB-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.67
Rot. Bonds4

About 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine

2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 141138891) has the molecular formula C15H23N7O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine
PubChem CID141138891
Molecular FormulaC15H23N7O2S
Molecular Weight365.46 g/mol
Exact Mass365.16
IUPAC Name2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2nccc(N)n2)CC1
InChIInChI=1S/C15H23N7O2S/c1-10-14(11(2)21(3)20-10)25(23,24)22-8-5-12(6-9-22)18-15-17-7-4-13(16)19-15/h4,7,12H,5-6,8-9H2,1-3H3,(H3,16,17,18,19)
InChIKeyBMFIEBOWFGOKPB-UHFFFAOYSA-N
XLogP0.67
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine (CID 141138891) is 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2nccc(N)n2)CC1.
What is the InChIKey of 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is BMFIEBOWFGOKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2S/c1-10-14(11(2)21(3)20-10)25(23,24)22-8-5-12(6-9-22)18-15-17-7-4-13(16)19-15/h4,7,12H,5-6,8-9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine?
2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 365.46 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 141138891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).