pyrimidin-2-amine

C4H5N3 — CID 7978

IUPACpyrimidin-2-amine
SMILESNc1ncccn1
InChIInChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
InChIKeyLJXQPZWIHJMPQQ-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.06
Rot. Bonds

About pyrimidin-2-amine

pyrimidin-2-amine (PubChem CID 7978) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is pyrimidin-2-amine.

Molecular Properties

Compound Namepyrimidin-2-amine
PubChem CID7978
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Namepyrimidin-2-amine
SMILESNc1ncccn1
InChIInChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
InChIKeyLJXQPZWIHJMPQQ-UHFFFAOYSA-N
XLogP0.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-amine?
The IUPAC name of pyrimidin-2-amine (CID 7978) is pyrimidin-2-amine.
What is the SMILES notation for pyrimidin-2-amine?
The canonical SMILES for pyrimidin-2-amine is Nc1ncccn1.
What is the InChIKey of pyrimidin-2-amine?
The InChIKey is LJXQPZWIHJMPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7).
What are the key properties of pyrimidin-2-amine?
pyrimidin-2-amine has a molecular weight of 95.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-amine is sourced from PubChem (CID 7978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).