1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

C19H27N7O2 — CID 22488083

IUPAC1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCc1cc(N2CCCC2C(=O)NC(C)N2CCOCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C19H27N7O2/c1-14-12-17(23-19(21-14)25-7-5-20-13-25)26-6-3-4-16(26)18(27)22-15(2)24-8-10-28-11-9-24/h5,7,12-13,15-16H,3-4,6,8-11H2,1-2H3,(H,22,27)
InChIKeyDSTMBQYSFWVGKL-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.73
Rot. Bonds5

About 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide

1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 22488083) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
PubChem CID22488083
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCc1cc(N2CCCC2C(=O)NC(C)N2CCOCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C19H27N7O2/c1-14-12-17(23-19(21-14)25-7-5-20-13-25)26-6-3-4-16(26)18(27)22-15(2)24-8-10-28-11-9-24/h5,7,12-13,15-16H,3-4,6,8-11H2,1-2H3,(H,22,27)
InChIKeyDSTMBQYSFWVGKL-UHFFFAOYSA-N
XLogP0.73
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide (CID 22488083) is 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is Cc1cc(N2CCCC2C(=O)NC(C)N2CCOCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is DSTMBQYSFWVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-14-12-17(23-19(21-14)25-7-5-20-13-25)26-6-3-4-16(26)18(27)22-15(2)24-8-10-28-11-9-24/h5,7,12-13,15-16H,3-4,6,8-11H2,1-2H3,(H,22,27).
What are the key properties of 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide?
1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(1-morpholin-4-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22488083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).