pyrimidin-5-ylmethanamine

C5H7N3 — CID 18953632

IUPACpyrimidin-5-ylmethanamine
SMILESNCc1cncnc1
InChIInChI=1S/C5H7N3/c6-1-5-2-7-4-8-3-5/h2-4H,1,6H2
InChIKeyUSRYWZFLGFQQEB-UHFFFAOYSA-N
MW109.13 g/mol
LogP-0.06
Rot. Bonds1

About pyrimidin-5-ylmethanamine

pyrimidin-5-ylmethanamine (PubChem CID 18953632) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Namepyrimidin-5-ylmethanamine
PubChem CID18953632
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Namepyrimidin-5-ylmethanamine
SMILESNCc1cncnc1
InChIInChI=1S/C5H7N3/c6-1-5-2-7-4-8-3-5/h2-4H,1,6H2
InChIKeyUSRYWZFLGFQQEB-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-5-ylmethanamine?
The IUPAC name of pyrimidin-5-ylmethanamine (CID 18953632) is pyrimidin-5-ylmethanamine.
What is the SMILES notation for pyrimidin-5-ylmethanamine?
The canonical SMILES for pyrimidin-5-ylmethanamine is NCc1cncnc1.
What is the InChIKey of pyrimidin-5-ylmethanamine?
The InChIKey is USRYWZFLGFQQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c6-1-5-2-7-4-8-3-5/h2-4H,1,6H2.
What are the key properties of pyrimidin-5-ylmethanamine?
pyrimidin-5-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-5-ylmethanamine is sourced from PubChem (CID 18953632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).