1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine

C20H20N6 — CID 15950065

IUPAC1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine
SMILESCc1cc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c(C)c1
InChIInChI=1S/C20H20N6/c1-12-8-13(2)19(14(3)9-12)25-20-24-15-6-4-5-7-16(15)26(20)18-10-17(21)22-11-23-18/h4-11H,1-3H3,(H,24,25)(H2,21,22,23)
InChIKeyZPRJXZVPSKFXMT-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.07
Rot. Bonds3

About 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine

1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine (PubChem CID 15950065) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine
PubChem CID15950065
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine
SMILESCc1cc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c(C)c1
InChIInChI=1S/C20H20N6/c1-12-8-13(2)19(14(3)9-12)25-20-24-15-6-4-5-7-16(15)26(20)18-10-17(21)22-11-23-18/h4-11H,1-3H3,(H,24,25)(H2,21,22,23)
InChIKeyZPRJXZVPSKFXMT-UHFFFAOYSA-N
XLogP4.07
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine (CID 15950065) is 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine is Cc1cc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c(C)c1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine?
The InChIKey is ZPRJXZVPSKFXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-12-8-13(2)19(14(3)9-12)25-20-24-15-6-4-5-7-16(15)26(20)18-10-17(21)22-11-23-18/h4-11H,1-3H3,(H,24,25)(H2,21,22,23).
What are the key properties of 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine?
1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine has a molecular weight of 344.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 15950065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).