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

C10H14N4O — CID 95841354

IUPAC1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](c2ccnc(N)n2)C1
InChIInChI=1S/C10H14N4O/c1-7(15)14-5-3-8(6-14)9-2-4-12-10(11)13-9/h2,4,8H,3,5-6H2,1H3,(H2,11,12,13)/t8-/m1/s1
InChIKeyHQBVVELARVMYAA-MRVPVSSYSA-N
MW206.25 g/mol
LogP0.39
Rot. Bonds1

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

1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95841354) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95841354
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](c2ccnc(N)n2)C1
InChIInChI=1S/C10H14N4O/c1-7(15)14-5-3-8(6-14)9-2-4-12-10(11)13-9/h2,4,8H,3,5-6H2,1H3,(H2,11,12,13)/t8-/m1/s1
InChIKeyHQBVVELARVMYAA-MRVPVSSYSA-N
XLogP0.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95817631
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124999663
N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 90648236
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450964
(2S)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450963

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone (CID 95841354) is 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](c2ccnc(N)n2)C1.
What is the InChIKey of 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is HQBVVELARVMYAA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(15)14-5-3-8(6-14)9-2-4-12-10(11)13-9/h2,4,8H,3,5-6H2,1H3,(H2,11,12,13)/t8-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone?
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 206.25 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95841354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).