[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone

C11H10N4O — CID 116601786

IUPAC[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone
SMILESNCc1cc(C(=O)c2cncnc2)ccn1
InChIInChI=1S/C11H10N4O/c12-4-10-3-8(1-2-15-10)11(16)9-5-13-7-14-6-9/h1-3,5-7H,4,12H2
InChIKeyXEUCUZYKXAALSN-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.56
Rot. Bonds3

About [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone

[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone (PubChem CID 116601786) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone
PubChem CID116601786
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone
SMILESNCc1cc(C(=O)c2cncnc2)ccn1
InChIInChI=1S/C11H10N4O/c12-4-10-3-8(1-2-15-10)11(16)9-5-13-7-14-6-9/h1-3,5-7H,4,12H2
InChIKeyXEUCUZYKXAALSN-UHFFFAOYSA-N
XLogP0.56
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone?
The IUPAC name of [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone (CID 116601786) is [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone is NCc1cc(C(=O)c2cncnc2)ccn1.
What is the InChIKey of [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone?
The InChIKey is XEUCUZYKXAALSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-4-10-3-8(1-2-15-10)11(16)9-5-13-7-14-6-9/h1-3,5-7H,4,12H2.
What are the key properties of [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone?
[2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone has a molecular weight of 214.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-pyridinyl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 116601786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).