(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone

C15H17ClN4O2 — CID 129477840

IUPAC(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
SMILESCN(Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C15H17ClN4O2/c1-19(10-14-17-6-2-7-18-14)11-5-8-20(9-11)15(21)12-3-4-13(16)22-12/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m0/s1
InChIKeyZHWMLIWSWLMBEY-NSHDSACASA-N
MW320.78 g/mol
LogP2.07
Rot. Bonds4

About (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone

(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone (PubChem CID 129477840) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
PubChem CID129477840
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
SMILESCN(Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C15H17ClN4O2/c1-19(10-14-17-6-2-7-18-14)11-5-8-20(9-11)15(21)12-3-4-13(16)22-12/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m0/s1
InChIKeyZHWMLIWSWLMBEY-NSHDSACASA-N
XLogP2.07
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 129473994
[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 129477332
(2-methoxyphenyl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 129477579
(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
CID 129339458
[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 138057617
(2R)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477695
(2S)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477697
(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129344240
[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-[(3R)-oxan-3-yl]methanone
CID 129477678
[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
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone (CID 129477840) is (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone is CN(Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1.
What is the InChIKey of (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is ZHWMLIWSWLMBEY-NSHDSACASA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-19(10-14-17-6-2-7-18-14)11-5-8-20(9-11)15(21)12-3-4-13(16)22-12/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m0/s1.
What are the key properties of (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone?
(5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 320.78 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129477840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).