N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide

C20H31N7O — CID 97028796

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide
SMILESCCN1CCC[C@@H]1CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C20H31N7O/c1-6-26-9-7-8-17(26)12-25(5)13-19(28)23-18-11-16(4)24-27(18)20-21-14(2)10-15(3)22-20/h10-11,17H,6-9,12-13H2,1-5H3,(H,23,28)/t17-/m1/s1
InChIKeyHRCIEOIDUXOPCC-QGZVFWFLSA-N
MW385.52 g/mol
LogP1.94
Rot. Bonds7

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide (PubChem CID 97028796) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide
PubChem CID97028796
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide
SMILESCCN1CCC[C@@H]1CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C20H31N7O/c1-6-26-9-7-8-17(26)12-25(5)13-19(28)23-18-11-16(4)24-27(18)20-21-14(2)10-15(3)22-20/h10-11,17H,6-9,12-13H2,1-5H3,(H,23,28)/t17-/m1/s1
InChIKeyHRCIEOIDUXOPCC-QGZVFWFLSA-N
XLogP1.94
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide (CID 97028796) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide is CCN1CCC[C@@H]1CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide?
The InChIKey is HRCIEOIDUXOPCC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N7O/c1-6-26-9-7-8-17(26)12-25(5)13-19(28)23-18-11-16(4)24-27(18)20-21-14(2)10-15(3)22-20/h10-11,17H,6-9,12-13H2,1-5H3,(H,23,28)/t17-/m1/s1.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide has a molecular weight of 385.52 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 97028796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).