N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine

C17H18N6 — CID 25167277

IUPACN-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCCCCNc1c(-c2ccc3[nH]ncc3c2)nc2ncccn12
InChIInChI=1S/C17H18N6/c1-2-3-7-18-16-15(21-17-19-8-4-9-23(16)17)12-5-6-14-13(10-12)11-20-22-14/h4-6,8-11,18H,2-3,7H2,1H3,(H,20,22)
InChIKeyZAOAKWGRHJIYTD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.48
Rot. Bonds5

About N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine

N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 25167277) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID25167277
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCCCCNc1c(-c2ccc3[nH]ncc3c2)nc2ncccn12
InChIInChI=1S/C17H18N6/c1-2-3-7-18-16-15(21-17-19-8-4-9-23(16)17)12-5-6-14-13(10-12)11-20-22-14/h4-6,8-11,18H,2-3,7H2,1H3,(H,20,22)
InChIKeyZAOAKWGRHJIYTD-UHFFFAOYSA-N
XLogP3.48
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine (CID 25167277) is N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine is CCCCNc1c(-c2ccc3[nH]ncc3c2)nc2ncccn12.
What is the InChIKey of N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is ZAOAKWGRHJIYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-2-3-7-18-16-15(21-17-19-8-4-9-23(16)17)12-5-6-14-13(10-12)11-20-22-14/h4-6,8-11,18H,2-3,7H2,1H3,(H,20,22).
What are the key properties of N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine?
N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 306.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 25167277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).