2-(aminomethyl)pyrimidin-4-amine

C5H8N4 — CID 55262859

IUPAC2-(aminomethyl)pyrimidin-4-amine
SMILESNCc1nccc(N)n1
InChIInChI=1S/C5H8N4/c6-3-5-8-2-1-4(7)9-5/h1-2H,3,6H2,(H2,7,8,9)
InChIKeySZMHCFYVAHHONY-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.48
Rot. Bonds1

About 2-(aminomethyl)pyrimidin-4-amine

2-(aminomethyl)pyrimidin-4-amine (PubChem CID 55262859) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2-(aminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)pyrimidin-4-amine
PubChem CID55262859
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2-(aminomethyl)pyrimidin-4-amine
SMILESNCc1nccc(N)n1
InChIInChI=1S/C5H8N4/c6-3-5-8-2-1-4(7)9-5/h1-2H,3,6H2,(H2,7,8,9)
InChIKeySZMHCFYVAHHONY-UHFFFAOYSA-N
XLogP-0.48
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)pyrimidin-4-amine?
The IUPAC name of 2-(aminomethyl)pyrimidin-4-amine (CID 55262859) is 2-(aminomethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(aminomethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(aminomethyl)pyrimidin-4-amine is NCc1nccc(N)n1.
What is the InChIKey of 2-(aminomethyl)pyrimidin-4-amine?
The InChIKey is SZMHCFYVAHHONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-3-5-8-2-1-4(7)9-5/h1-2H,3,6H2,(H2,7,8,9).
What are the key properties of 2-(aminomethyl)pyrimidin-4-amine?
2-(aminomethyl)pyrimidin-4-amine has a molecular weight of 124.15 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 55262859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).