[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine

C9H11N5 — CID 82902374

IUPAC[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine
SMILESCn1cncc1-c1ncc(CN)cn1
InChIInChI=1S/C9H11N5/c1-14-6-11-5-8(14)9-12-3-7(2-10)4-13-9/h3-6H,2,10H2,1H3
InChIKeySQHJKZBNBIWJCA-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.34
Rot. Bonds2

About [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine

[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine (PubChem CID 82902374) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine
PubChem CID82902374
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine
SMILESCn1cncc1-c1ncc(CN)cn1
InChIInChI=1S/C9H11N5/c1-14-6-11-5-8(14)9-12-3-7(2-10)4-13-9/h3-6H,2,10H2,1H3
InChIKeySQHJKZBNBIWJCA-UHFFFAOYSA-N
XLogP0.34
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine (CID 82902374) is [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine is Cn1cncc1-c1ncc(CN)cn1.
What is the InChIKey of [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine?
The InChIKey is SQHJKZBNBIWJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-14-6-11-5-8(14)9-12-3-7(2-10)4-13-9/h3-6H,2,10H2,1H3.
What are the key properties of [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine?
[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylimidazol-4-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 82902374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).