N-benzyl-6-imidazol-1-ylpyrimidin-4-amine

C14H13N5 — CID 53015204

IUPACN-benzyl-6-imidazol-1-ylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C14H13N5/c1-2-4-12(5-3-1)9-16-13-8-14(18-10-17-13)19-7-6-15-11-19/h1-8,10-11H,9H2,(H,16,17,18)
InChIKeyLTXWLQJPKFSIRS-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.27
Rot. Bonds4

About N-benzyl-6-imidazol-1-ylpyrimidin-4-amine

N-benzyl-6-imidazol-1-ylpyrimidin-4-amine (PubChem CID 53015204) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzyl-6-imidazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-imidazol-1-ylpyrimidin-4-amine
PubChem CID53015204
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC NameN-benzyl-6-imidazol-1-ylpyrimidin-4-amine
SMILESc1ccc(CNc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C14H13N5/c1-2-4-12(5-3-1)9-16-13-8-14(18-10-17-13)19-7-6-15-11-19/h1-8,10-11H,9H2,(H,16,17,18)
InChIKeyLTXWLQJPKFSIRS-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-imidazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-imidazol-1-ylpyrimidin-4-amine (CID 53015204) is N-benzyl-6-imidazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-imidazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-imidazol-1-ylpyrimidin-4-amine is c1ccc(CNc2cc(-n3ccnc3)ncn2)cc1.
What is the InChIKey of N-benzyl-6-imidazol-1-ylpyrimidin-4-amine?
The InChIKey is LTXWLQJPKFSIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-4-12(5-3-1)9-16-13-8-14(18-10-17-13)19-7-6-15-11-19/h1-8,10-11H,9H2,(H,16,17,18).
What are the key properties of N-benzyl-6-imidazol-1-ylpyrimidin-4-amine?
N-benzyl-6-imidazol-1-ylpyrimidin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-imidazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53015204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).