[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C15H17N5O — CID 109249233

IUPAC[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(NCc2ccccn2)nc1)N1CCCC1
InChIInChI=1S/C15H17N5O/c21-14(20-7-3-4-8-20)12-9-17-15(18-10-12)19-11-13-5-1-2-6-16-13/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,17,18,19)
InChIKeyFSTYDNWDVQJMPQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.72
Rot. Bonds4

About [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109249233) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID109249233
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(NCc2ccccn2)nc1)N1CCCC1
InChIInChI=1S/C15H17N5O/c21-14(20-7-3-4-8-20)12-9-17-15(18-10-12)19-11-13-5-1-2-6-16-13/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,17,18,19)
InChIKeyFSTYDNWDVQJMPQ-UHFFFAOYSA-N
XLogP1.72
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109258694
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
CID 109182557
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
ethyl 4-[6-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109157674
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
(4-methylazepan-1-yl)-[3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 126820564
4-[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230732
3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758

Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 109249233) is [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(NCc2ccccn2)nc1)N1CCCC1.
What is the InChIKey of [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FSTYDNWDVQJMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-14(20-7-3-4-8-20)12-9-17-15(18-10-12)19-11-13-5-1-2-6-16-13/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,17,18,19).
What are the key properties of [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 283.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109249233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).