N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine

C18H16N4O — CID 42740280

IUPACN-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccco2)nc2ncccn12
InChIInChI=1S/C18H16N4O/c1-12-6-3-7-13(2)15(12)20-17-16(14-8-4-11-23-14)21-18-19-9-5-10-22(17)18/h3-11,20H,1-2H3
InChIKeyIQAQLRDSLRHUDC-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.35
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine

N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 42740280) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID42740280
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccco2)nc2ncccn12
InChIInChI=1S/C18H16N4O/c1-12-6-3-7-13(2)15(12)20-17-16(14-8-4-11-23-14)21-18-19-9-5-10-22(17)18/h3-11,20H,1-2H3
InChIKeyIQAQLRDSLRHUDC-UHFFFAOYSA-N
XLogP4.35
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Vipadenant
CID 21874557
Las-38096
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CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
Roscovitine derivative 1
CID 73353575
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
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CID 10269215
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CID 10269216

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine (CID 42740280) is N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine is Cc1cccc(C)c1Nc1c(-c2ccco2)nc2ncccn12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is IQAQLRDSLRHUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-6-3-7-13(2)15(12)20-17-16(14-8-4-11-23-14)21-18-19-9-5-10-22(17)18/h3-11,20H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 304.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 42740280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).