4-(imidazol-1-ylmethyl)pyrimidin-2-amine

C8H9N5 — CID 130536364

IUPAC4-(imidazol-1-ylmethyl)pyrimidin-2-amine
SMILESNc1nccc(Cn2ccnc2)n1
InChIInChI=1S/C8H9N5/c9-8-11-2-1-7(12-8)5-13-4-3-10-6-13/h1-4,6H,5H2,(H2,9,11,12)
InChIKeyPYDBFZPIISRTTJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.30
Rot. Bonds2

About 4-(imidazol-1-ylmethyl)pyrimidin-2-amine

4-(imidazol-1-ylmethyl)pyrimidin-2-amine (PubChem CID 130536364) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)pyrimidin-2-amine
PubChem CID130536364
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name4-(imidazol-1-ylmethyl)pyrimidin-2-amine
SMILESNc1nccc(Cn2ccnc2)n1
InChIInChI=1S/C8H9N5/c9-8-11-2-1-7(12-8)5-13-4-3-10-6-13/h1-4,6H,5H2,(H2,9,11,12)
InChIKeyPYDBFZPIISRTTJ-UHFFFAOYSA-N
XLogP0.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(imidazol-1-ylmethyl)pyrimidin-2-amine (CID 130536364) is 4-(imidazol-1-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(imidazol-1-ylmethyl)pyrimidin-2-amine is Nc1nccc(Cn2ccnc2)n1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)pyrimidin-2-amine?
The InChIKey is PYDBFZPIISRTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-8-11-2-1-7(12-8)5-13-4-3-10-6-13/h1-4,6H,5H2,(H2,9,11,12).
What are the key properties of 4-(imidazol-1-ylmethyl)pyrimidin-2-amine?
4-(imidazol-1-ylmethyl)pyrimidin-2-amine has a molecular weight of 175.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 130536364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).