4-(2-methylimidazol-1-yl)pyrimidin-5-amine

C8H9N5 — CID 79916755

IUPAC4-(2-methylimidazol-1-yl)pyrimidin-5-amine
SMILESCc1nccn1-c1ncncc1N
InChIInChI=1S/C8H9N5/c1-6-11-2-3-13(6)8-7(9)4-10-5-12-8/h2-5H,9H2,1H3
InChIKeyBXAPIAHHBFHRKQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.55
Rot. Bonds1

About 4-(2-methylimidazol-1-yl)pyrimidin-5-amine

4-(2-methylimidazol-1-yl)pyrimidin-5-amine (PubChem CID 79916755) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)pyrimidin-5-amine
PubChem CID79916755
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name4-(2-methylimidazol-1-yl)pyrimidin-5-amine
SMILESCc1nccn1-c1ncncc1N
InChIInChI=1S/C8H9N5/c1-6-11-2-3-13(6)8-7(9)4-10-5-12-8/h2-5H,9H2,1H3
InChIKeyBXAPIAHHBFHRKQ-UHFFFAOYSA-N
XLogP0.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(2-methylimidazol-1-yl)pyrimidin-5-amine (CID 79916755) is 4-(2-methylimidazol-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(2-methylimidazol-1-yl)pyrimidin-5-amine is Cc1nccn1-c1ncncc1N.
What is the InChIKey of 4-(2-methylimidazol-1-yl)pyrimidin-5-amine?
The InChIKey is BXAPIAHHBFHRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-11-2-3-13(6)8-7(9)4-10-5-12-8/h2-5H,9H2,1H3.
What are the key properties of 4-(2-methylimidazol-1-yl)pyrimidin-5-amine?
4-(2-methylimidazol-1-yl)pyrimidin-5-amine has a molecular weight of 175.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 79916755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).