N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide

C20H29N7O — CID 121427030

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1nccnc1N1CCCC1
InChIInChI=1S/C20H29N7O/c1-5-26(13-12-25(4)20-23-15(2)14-16(3)24-20)19(28)17-18(22-9-8-21-17)27-10-6-7-11-27/h8-9,14H,5-7,10-13H2,1-4H3
InChIKeyPUWBONXQMIDQBH-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.08
Rot. Bonds7

About N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide (PubChem CID 121427030) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
PubChem CID121427030
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1nccnc1N1CCCC1
InChIInChI=1S/C20H29N7O/c1-5-26(13-12-25(4)20-23-15(2)14-16(3)24-20)19(28)17-18(22-9-8-21-17)27-10-6-7-11-27/h8-9,14H,5-7,10-13H2,1-4H3
InChIKeyPUWBONXQMIDQBH-UHFFFAOYSA-N
XLogP2.08
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide (CID 121427030) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1nccnc1N1CCCC1.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide?
The InChIKey is PUWBONXQMIDQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-5-26(13-12-25(4)20-23-15(2)14-16(3)24-20)19(28)17-18(22-9-8-21-17)27-10-6-7-11-27/h8-9,14H,5-7,10-13H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 121427030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).