(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone

C10H13N3O — CID 89084134

IUPAC(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C10H13N3O/c1-8-11-6-9(7-12-8)10(14)13-4-2-3-5-13/h6-7H,2-5H2,1H3
InChIKeyDYAJALWTUUWENY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.02
Rot. Bonds1

About (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone

(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 89084134) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID89084134
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C10H13N3O/c1-8-11-6-9(7-12-8)10(14)13-4-2-3-5-13/h6-7H,2-5H2,1H3
InChIKeyDYAJALWTUUWENY-UHFFFAOYSA-N
XLogP1.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
CID 130550489
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
(2-methylpyrimidin-5-yl)-[1-(pyrrolidine-1-carbonyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone
CID 155879645
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone (CID 89084134) is (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone is Cc1ncc(C(=O)N2CCCC2)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is DYAJALWTUUWENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-11-6-9(7-12-8)10(14)13-4-2-3-5-13/h6-7H,2-5H2,1H3.
What are the key properties of (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone?
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 191.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 89084134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).