(2-imidazol-1-ylpyrimidin-5-yl)methanamine

C8H9N5 — CID 55263553

IUPAC(2-imidazol-1-ylpyrimidin-5-yl)methanamine
SMILESNCc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C8H9N5/c9-3-7-4-11-8(12-5-7)13-2-1-10-6-13/h1-2,4-6H,3,9H2
InChIKeySHCHSEJPHVXNIF-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.12
Rot. Bonds2

About (2-imidazol-1-ylpyrimidin-5-yl)methanamine

(2-imidazol-1-ylpyrimidin-5-yl)methanamine (PubChem CID 55263553) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is (2-imidazol-1-ylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(2-imidazol-1-ylpyrimidin-5-yl)methanamine
PubChem CID55263553
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name(2-imidazol-1-ylpyrimidin-5-yl)methanamine
SMILESNCc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C8H9N5/c9-3-7-4-11-8(12-5-7)13-2-1-10-6-13/h1-2,4-6H,3,9H2
InChIKeySHCHSEJPHVXNIF-UHFFFAOYSA-N
XLogP0.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)methanamine?
The IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)methanamine (CID 55263553) is (2-imidazol-1-ylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (2-imidazol-1-ylpyrimidin-5-yl)methanamine?
The canonical SMILES for (2-imidazol-1-ylpyrimidin-5-yl)methanamine is NCc1cnc(-n2ccnc2)nc1.
What is the InChIKey of (2-imidazol-1-ylpyrimidin-5-yl)methanamine?
The InChIKey is SHCHSEJPHVXNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-3-7-4-11-8(12-5-7)13-2-1-10-6-13/h1-2,4-6H,3,9H2.
What are the key properties of (2-imidazol-1-ylpyrimidin-5-yl)methanamine?
(2-imidazol-1-ylpyrimidin-5-yl)methanamine has a molecular weight of 175.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-ylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 55263553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).