[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone

C19H26N4O2 — CID 129338509

IUPAC[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1C1CC1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C19H26N4O2/c24-18(15-11-14(15)13-3-4-13)23-9-10-25-17(12-23)16-5-6-20-19(21-16)22-7-1-2-8-22/h5-6,13-15,17H,1-4,7-12H2/t14-,15-,17-/m1/s1
InChIKeyUOXUGAXAXXQPHU-BFYDXBDKSA-N
MW342.44 g/mol
LogP2.02
Rot. Bonds4

About [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone

[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 129338509) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID129338509
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1C1CC1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C19H26N4O2/c24-18(15-11-14(15)13-3-4-13)23-9-10-25-17(12-23)16-5-6-20-19(21-16)22-7-1-2-8-22/h5-6,13-15,17H,1-4,7-12H2/t14-,15-,17-/m1/s1
InChIKeyUOXUGAXAXXQPHU-BFYDXBDKSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129334104
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128990958
1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 128967255
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129331728
6-methyl-4-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 128993964
(2R)-1-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129340939
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128992772
3-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]benzonitrile
CID 128974450
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 129341515
4-methyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]ethyl]-1,2,4-triazol-3-one
CID 128995763
[(1R,2S)-2-cyclohexylcyclopropyl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129425416

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 129338509) is [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone is O=C([C@@H]1C[C@@H]1C1CC1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1.
What is the InChIKey of [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is UOXUGAXAXXQPHU-BFYDXBDKSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(15-11-14(15)13-3-4-13)23-9-10-25-17(12-23)16-5-6-20-19(21-16)22-7-1-2-8-22/h5-6,13-15,17H,1-4,7-12H2/t14-,15-,17-/m1/s1.
What are the key properties of [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129338509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).