1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone

C11H15N3O — CID 121394060

IUPAC1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone
SMILESCC(=O)c1ncc(CN2CCCC2)cn1
InChIInChI=1S/C11H15N3O/c1-9(15)11-12-6-10(7-13-11)8-14-4-2-3-5-14/h6-7H,2-5,8H2,1H3
InChIKeyRQRIWMLFVGICLG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.27
Rot. Bonds3

About 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone

1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone (PubChem CID 121394060) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone
PubChem CID121394060
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone
SMILESCC(=O)c1ncc(CN2CCCC2)cn1
InChIInChI=1S/C11H15N3O/c1-9(15)11-12-6-10(7-13-11)8-14-4-2-3-5-14/h6-7H,2-5,8H2,1H3
InChIKeyRQRIWMLFVGICLG-UHFFFAOYSA-N
XLogP1.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70780530
1-[4-[(6-hydrazinyl-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62246277
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide
CID 77084809
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 70737977
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 77080425
acetic acid;8-[[4-(1,4,8,12-tetrazacyclopentadec-8-ylmethyl)phenyl]methyl]-1,4,8,12-tetrazacyclopentadecane;tetrahydrate;octahydrobromide
CID 54587637
3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine
CID 170589062

Frequently Asked Questions

What is the IUPAC name of 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone?
The IUPAC name of 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone (CID 121394060) is 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone is CC(=O)c1ncc(CN2CCCC2)cn1.
What is the InChIKey of 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone?
The InChIKey is RQRIWMLFVGICLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(15)11-12-6-10(7-13-11)8-14-4-2-3-5-14/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone?
1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]ethanone is sourced from PubChem (CID 121394060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).