[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone

C10H14N4O — CID 102922233

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESNCC1CCN(C(=O)c2cncnc2)C1
InChIInChI=1S/C10H14N4O/c11-3-8-1-2-14(6-8)10(15)9-4-12-7-13-5-9/h4-5,7-8H,1-3,6,11H2
InChIKeyFAKPXQCYRAXUQA-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.10
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone

[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 102922233) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID102922233
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESNCC1CCN(C(=O)c2cncnc2)C1
InChIInChI=1S/C10H14N4O/c11-3-8-1-2-14(6-8)10(15)9-4-12-7-13-5-9/h4-5,7-8H,1-3,6,11H2
InChIKeyFAKPXQCYRAXUQA-UHFFFAOYSA-N
XLogP-0.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119483346
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone (CID 102922233) is [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone is NCC1CCN(C(=O)c2cncnc2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is FAKPXQCYRAXUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-3-8-1-2-14(6-8)10(15)9-4-12-7-13-5-9/h4-5,7-8H,1-3,6,11H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 206.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102922233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).