[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone

C13H18N4O — CID 110269324

IUPAC[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNc1nccc(C2CCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C13H18N4O/c14-13-15-6-4-11(16-13)10-5-7-17(8-10)12(18)9-2-1-3-9/h4,6,9-10H,1-3,5,7-8H2,(H2,14,15,16)
InChIKeyHNQABYNDOUSRNJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.17
Rot. Bonds2

About [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone

[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 110269324) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID110269324
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNc1nccc(C2CCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C13H18N4O/c14-13-15-6-4-11(16-13)10-5-7-17(8-10)12(18)9-2-1-3-9/h4,6,9-10H,1-3,5,7-8H2,(H2,14,15,16)
InChIKeyHNQABYNDOUSRNJ-UHFFFAOYSA-N
XLogP1.17
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95817631
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-cyclohexylpyrrolidin-3-yl)methanone
CID 167929183
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093689
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone (CID 110269324) is [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone is Nc1nccc(C2CCN(C(=O)C3CCC3)C2)n1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is HNQABYNDOUSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-13-15-6-4-11(16-13)10-5-7-17(8-10)12(18)9-2-1-3-9/h4,6,9-10H,1-3,5,7-8H2,(H2,14,15,16).
What are the key properties of [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 246.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 110269324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).