N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide

C20H31N5O3 — CID 92640454

IUPACN,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C20H31N5O3/c1-4-23(5-2)18(26)14-25-8-6-7-17(25)19-16(13-21-15(3)22-19)20(27)24-9-11-28-12-10-24/h13,17H,4-12,14H2,1-3H3/t17-/m1/s1
InChIKeyVSYOCZZZAFDGLP-QGZVFWFLSA-N
MW389.50 g/mol
LogP1.26
Rot. Bonds6

About N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide

N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide (PubChem CID 92640454) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
PubChem CID92640454
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC NameN,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C20H31N5O3/c1-4-23(5-2)18(26)14-25-8-6-7-17(25)19-16(13-21-15(3)22-19)20(27)24-9-11-28-12-10-24/h13,17H,4-12,14H2,1-3H3/t17-/m1/s1
InChIKeyVSYOCZZZAFDGLP-QGZVFWFLSA-N
XLogP1.26
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide (CID 92640454) is N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC[C@@H]1c1nc(C)ncc1C(=O)N1CCOCC1.
What is the InChIKey of N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is VSYOCZZZAFDGLP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-4-23(5-2)18(26)14-25-8-6-7-17(25)19-16(13-21-15(3)22-19)20(27)24-9-11-28-12-10-24/h13,17H,4-12,14H2,1-3H3/t17-/m1/s1.
What are the key properties of N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2R)-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 92640454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).