2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

C18H26N6O — CID 2334596

IUPAC2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC2CCCCC2)n1
InChIInChI=1S/C18H26N6O/c1-12-9-13(2)21-18(20-12)24-16(10-14(3)23-24)22-17(25)11-19-15-7-5-4-6-8-15/h9-10,15,19H,4-8,11H2,1-3H3,(H,22,25)
InChIKeyANPGSMCYEYNRKL-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.45
Rot. Bonds5

About 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 2334596) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID2334596
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC2CCCCC2)n1
InChIInChI=1S/C18H26N6O/c1-12-9-13(2)21-18(20-12)24-16(10-14(3)23-24)22-17(25)11-19-15-7-5-4-6-8-15/h9-10,15,19H,4-8,11H2,1-3H3,(H,22,25)
InChIKeyANPGSMCYEYNRKL-UHFFFAOYSA-N
XLogP2.45
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 2334596) is 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is ANPGSMCYEYNRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-9-13(2)21-18(20-12)24-16(10-14(3)23-24)22-17(25)11-19-15-7-5-4-6-8-15/h9-10,15,19H,4-8,11H2,1-3H3,(H,22,25).
What are the key properties of 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 2334596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).