4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine

C16H20N4 — CID 2802239

IUPAC4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine
SMILESCC(C)CC(C)c1cc(N)nc2nc3ccccc3n12
InChIInChI=1S/C16H20N4/c1-10(2)8-11(3)14-9-15(17)19-16-18-12-6-4-5-7-13(12)20(14)16/h4-7,9-11H,8H2,1-3H3,(H2,17,18,19)
InChIKeyHIRJGPZTWUBXDB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.61
Rot. Bonds3

About 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine

4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine (PubChem CID 2802239) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine
PubChem CID2802239
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine
SMILESCC(C)CC(C)c1cc(N)nc2nc3ccccc3n12
InChIInChI=1S/C16H20N4/c1-10(2)8-11(3)14-9-15(17)19-16-18-12-6-4-5-7-13(12)20(14)16/h4-7,9-11H,8H2,1-3H3,(H2,17,18,19)
InChIKeyHIRJGPZTWUBXDB-UHFFFAOYSA-N
XLogP3.61
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine (CID 2802239) is 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine is CC(C)CC(C)c1cc(N)nc2nc3ccccc3n12.
What is the InChIKey of 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine?
The InChIKey is HIRJGPZTWUBXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10(2)8-11(3)14-9-15(17)19-16-18-12-6-4-5-7-13(12)20(14)16/h4-7,9-11H,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine?
4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentan-2-yl)pyrimido[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 2802239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).