2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

C13H20N4O — CID 73440182

IUPAC2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccnc(C2CCCN2C(=O)CN(C)C)n1
InChIInChI=1S/C13H20N4O/c1-10-6-7-14-13(15-10)11-5-4-8-17(11)12(18)9-16(2)3/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyNHXSCNCDUCCRPC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.01
Rot. Bonds3

About 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 73440182) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID73440182
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccnc(C2CCCN2C(=O)CN(C)C)n1
InChIInChI=1S/C13H20N4O/c1-10-6-7-14-13(15-10)11-5-4-8-17(11)12(18)9-16(2)3/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyNHXSCNCDUCCRPC-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 73440182) is 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is Cc1ccnc(C2CCCN2C(=O)CN(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NHXSCNCDUCCRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-6-7-14-13(15-10)11-5-4-8-17(11)12(18)9-16(2)3/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 73440182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).