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

C19H29N7O2 — CID 86911462

IUPAC2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C19H29N7O2/c1-7-25(8-2)18(28)12-24(6)11-17(27)22-16-10-15(5)23-26(16)19-20-13(3)9-14(4)21-19/h9-10H,7-8,11-12H2,1-6H3,(H,22,27)
InChIKeyDQZWJRSRAUEOTB-UHFFFAOYSA-N
MW387.49 g/mol
LogP1.33
Rot. Bonds8

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

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 86911462) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID86911462
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C19H29N7O2/c1-7-25(8-2)18(28)12-24(6)11-17(27)22-16-10-15(5)23-26(16)19-20-13(3)9-14(4)21-19/h9-10H,7-8,11-12H2,1-6H3,(H,22,27)
InChIKeyDQZWJRSRAUEOTB-UHFFFAOYSA-N
XLogP1.33
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 86911462) is 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is CCN(CC)C(=O)CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1.
What is the InChIKey of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is DQZWJRSRAUEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-7-25(8-2)18(28)12-24(6)11-17(27)22-16-10-15(5)23-26(16)19-20-13(3)9-14(4)21-19/h9-10H,7-8,11-12H2,1-6H3,(H,22,27).
What are the key properties of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 86911462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).