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

C19H22N6O — CID 2334593

IUPAC2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNCc2ccccc2)n1
InChIInChI=1S/C19H22N6O/c1-13-9-14(2)22-19(21-13)25-17(10-15(3)24-25)23-18(26)12-20-11-16-7-5-4-6-8-16/h4-10,20H,11-12H2,1-3H3,(H,23,26)
InChIKeyBSSQGKAIGZCHPR-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.32
Rot. Bonds6

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

2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 2334593) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID2334593
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNCc2ccccc2)n1
InChIInChI=1S/C19H22N6O/c1-13-9-14(2)22-19(21-13)25-17(10-15(3)24-25)23-18(26)12-20-11-16-7-5-4-6-8-16/h4-10,20H,11-12H2,1-3H3,(H,23,26)
InChIKeyBSSQGKAIGZCHPR-UHFFFAOYSA-N
XLogP2.32
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 2334593) is 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CNCc2ccccc2)n1.
What is the InChIKey of 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is BSSQGKAIGZCHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-9-14(2)22-19(21-13)25-17(10-15(3)24-25)23-18(26)12-20-11-16-7-5-4-6-8-16/h4-10,20H,11-12H2,1-3H3,(H,23,26).
What are the key properties of 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 2334593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).