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

C19H18N4S — CID 15990365

IUPACN-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCCc1cccc(C)c1Nc1c(-c2ccsc2)nc2ncccn12
InChIInChI=1S/C19H18N4S/c1-3-14-7-4-6-13(2)16(14)21-18-17(15-8-11-24-12-15)22-19-20-9-5-10-23(18)19/h4-12,21H,3H2,1-2H3
InChIKeyFWKZAYCBLMBJKH-UHFFFAOYSA-N
MW334.45 g/mol
LogP5.07
Rot. Bonds4

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

N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 15990365) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID15990365
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCCc1cccc(C)c1Nc1c(-c2ccsc2)nc2ncccn12
InChIInChI=1S/C19H18N4S/c1-3-14-7-4-6-13(2)16(14)21-18-17(15-8-11-24-12-15)22-19-20-9-5-10-23(18)19/h4-12,21H,3H2,1-2H3
InChIKeyFWKZAYCBLMBJKH-UHFFFAOYSA-N
XLogP5.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine (CID 15990365) is N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine is CCc1cccc(C)c1Nc1c(-c2ccsc2)nc2ncccn12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is FWKZAYCBLMBJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-3-14-7-4-6-13(2)16(14)21-18-17(15-8-11-24-12-15)22-19-20-9-5-10-23(18)19/h4-12,21H,3H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 334.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 15990365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).