[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone

C16H24N4O2 — CID 129477678

IUPAC[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone
SMILESCN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1
InChIInChI=1S/C16H24N4O2/c1-19(11-15-17-6-3-7-18-15)14-5-8-20(10-14)16(21)13-4-2-9-22-12-13/h3,6-7,13-14H,2,4-5,8-12H2,1H3/t13-,14-/m1/s1
InChIKeyUWFWVNFFPIAFHC-ZIAGYGMSSA-N
MW304.39 g/mol
LogP0.94
Rot. Bonds4

About [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone

[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone (PubChem CID 129477678) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone
PubChem CID129477678
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone
SMILESCN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1
InChIInChI=1S/C16H24N4O2/c1-19(11-15-17-6-3-7-18-15)14-5-8-20(10-14)16(21)13-4-2-9-22-12-13/h3,6-7,13-14H,2,4-5,8-12H2,1H3/t13-,14-/m1/s1
InChIKeyUWFWVNFFPIAFHC-ZIAGYGMSSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone with MolForge

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Related Compounds

1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 129477756
4-methoxy-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pentan-1-one
CID 128999784
1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128999819
(4S)-4-methoxy-1-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pentan-1-one
CID 129477351
(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 129477840
(2S)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477697
(2R)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477695
(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129344240
[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 128970013
3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
CID 128999786
[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 129477332
(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
CID 129339458

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone?
The IUPAC name of [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone (CID 129477678) is [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone.
What is the SMILES notation for [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone?
The canonical SMILES for [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone is CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1.
What is the InChIKey of [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone?
The InChIKey is UWFWVNFFPIAFHC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19(11-15-17-6-3-7-18-15)14-5-8-20(10-14)16(21)13-4-2-9-22-12-13/h3,6-7,13-14H,2,4-5,8-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone?
[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone is sourced from PubChem (CID 129477678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).