[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone

C9H12N4O — CID 102922341

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESN[C@H]1CCN(C(=O)c2cncnc2)C1
InChIInChI=1S/C9H12N4O/c10-8-1-2-13(5-8)9(14)7-3-11-6-12-4-7/h3-4,6,8H,1-2,5,10H2/t8-/m0/s1
InChIKeyJPEXMYNDBTUIRO-QMMMGPOBSA-N
MW192.22 g/mol
LogP-0.35
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone

[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 102922341) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID102922341
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESN[C@H]1CCN(C(=O)c2cncnc2)C1
InChIInChI=1S/C9H12N4O/c10-8-1-2-13(5-8)9(14)7-3-11-6-12-4-7/h3-4,6,8H,1-2,5,10H2/t8-/m0/s1
InChIKeyJPEXMYNDBTUIRO-QMMMGPOBSA-N
XLogP-0.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
1-(pyrimidine-5-carbonyl)piperidine-3-carbothioamide
CID 102921864

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone (CID 102922341) is [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone is N[C@H]1CCN(C(=O)c2cncnc2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is JPEXMYNDBTUIRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N4O/c10-8-1-2-13(5-8)9(14)7-3-11-6-12-4-7/h3-4,6,8H,1-2,5,10H2/t8-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 192.22 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102922341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).