(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C18H26N4O2 — CID 97026721

IUPAC(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-2-13-11-22(12-16(13)21-7-9-24-10-8-21)18(23)15-5-6-19-17(20-15)14-3-4-14/h5-6,13-14,16H,2-4,7-12H2,1H3/t13-,16+/m1/s1
InChIKeyXPYHDYCUKQAGII-CJNGLKHVSA-N
MW330.43 g/mol
LogP1.54
Rot. Bonds4

About (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 97026721) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID97026721
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-2-13-11-22(12-16(13)21-7-9-24-10-8-21)18(23)15-5-6-19-17(20-15)14-3-4-14/h5-6,13-14,16H,2-4,7-12H2,1H3/t13-,16+/m1/s1
InChIKeyXPYHDYCUKQAGII-CJNGLKHVSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-aminopyrazin-2-yl)-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 71871958
(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026553
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 97026691
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide
CID 154860475
(4-ethyl-2-methylpyrimidin-5-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96996311
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97026755
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 125118280
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96997048
[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 97026578
[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71871964

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 97026721) is (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is CC[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is XPYHDYCUKQAGII-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-2-13-11-22(12-16(13)21-7-9-24-10-8-21)18(23)15-5-6-19-17(20-15)14-3-4-14/h5-6,13-14,16H,2-4,7-12H2,1H3/t13-,16+/m1/s1.
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 97026721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).