N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine

C18H16N4S — CID 4193839

IUPACN-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccsc2)nc2ncccn12
InChIInChI=1S/C18H16N4S/c1-12-5-3-6-13(2)15(12)20-17-16(14-7-10-23-11-14)21-18-19-8-4-9-22(17)18/h3-11,20H,1-2H3
InChIKeyYHCBPHDPOFBMDV-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.82
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine

N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 4193839) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID4193839
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC NameN-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccsc2)nc2ncccn12
InChIInChI=1S/C18H16N4S/c1-12-5-3-6-13(2)15(12)20-17-16(14-7-10-23-11-14)21-18-19-8-4-9-22(17)18/h3-11,20H,1-2H3
InChIKeyYHCBPHDPOFBMDV-UHFFFAOYSA-N
XLogP4.82
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine (CID 4193839) is N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine is Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2ncccn12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is YHCBPHDPOFBMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-12-5-3-6-13(2)15(12)20-17-16(14-7-10-23-11-14)21-18-19-8-4-9-22(17)18/h3-11,20H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 320.42 g/mol, XLogP of 4.82, 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-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 4193839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).