pyrimidin-4-ylmethanamine

C5H7N3 — CID 12933348

IUPACpyrimidin-4-ylmethanamine
SMILESNCc1ccncn1
InChIInChI=1S/C5H7N3/c6-3-5-1-2-7-4-8-5/h1-2,4H,3,6H2
InChIKeyAUHXBTKGPUVFCB-UHFFFAOYSA-N
MW109.13 g/mol
LogP-0.06
Rot. Bonds1

About pyrimidin-4-ylmethanamine

pyrimidin-4-ylmethanamine (PubChem CID 12933348) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Namepyrimidin-4-ylmethanamine
PubChem CID12933348
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Namepyrimidin-4-ylmethanamine
SMILESNCc1ccncn1
InChIInChI=1S/C5H7N3/c6-3-5-1-2-7-4-8-5/h1-2,4H,3,6H2
InChIKeyAUHXBTKGPUVFCB-UHFFFAOYSA-N
XLogP-0.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-ylmethanamine?
The IUPAC name of pyrimidin-4-ylmethanamine (CID 12933348) is pyrimidin-4-ylmethanamine.
What is the SMILES notation for pyrimidin-4-ylmethanamine?
The canonical SMILES for pyrimidin-4-ylmethanamine is NCc1ccncn1.
What is the InChIKey of pyrimidin-4-ylmethanamine?
The InChIKey is AUHXBTKGPUVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c6-3-5-1-2-7-4-8-5/h1-2,4H,3,6H2.
What are the key properties of pyrimidin-4-ylmethanamine?
pyrimidin-4-ylmethanamine has a molecular weight of 109.13 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-ylmethanamine is sourced from PubChem (CID 12933348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).