N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine

C19H26N8O2S — CID 150212359

IUPACN-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCCCS(=O)(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)CC1
InChIInChI=1S/C19H26N8O2S/c1-3-10-30(28,29)26-8-5-17(6-9-26)27-13-15(11-22-27)18-4-7-20-19(24-18)23-16-12-21-25(2)14-16/h4,7,11-14,17H,3,5-6,8-10H2,1-2H3,(H,20,23,24)
InChIKeyFRTKYIUCVUZWBD-UHFFFAOYSA-N
MW430.54 g/mol
LogP2.19
Rot. Bonds7

About N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine

N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 150212359) has the molecular formula C19H26N8O2S and a molecular weight of 430.54 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID150212359
Molecular FormulaC19H26N8O2S
Molecular Weight430.54 g/mol
Exact Mass430.19
IUPAC NameN-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCCCS(=O)(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)CC1
InChIInChI=1S/C19H26N8O2S/c1-3-10-30(28,29)26-8-5-17(6-9-26)27-13-15(11-22-27)18-4-7-20-19(24-18)23-16-12-21-25(2)14-16/h4,7,11-14,17H,3,5-6,8-10H2,1-2H3,(H,20,23,24)
InChIKeyFRTKYIUCVUZWBD-UHFFFAOYSA-N
XLogP2.19
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 151093664
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1-[3-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
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CID 167567643
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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 150212359) is N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine is CCCS(=O)(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)CC1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is FRTKYIUCVUZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O2S/c1-3-10-30(28,29)26-8-5-17(6-9-26)27-13-15(11-22-27)18-4-7-20-19(24-18)23-16-12-21-25(2)14-16/h4,7,11-14,17H,3,5-6,8-10H2,1-2H3,(H,20,23,24).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 430.54 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-[1-(1-propylsulfonylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 150212359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).