N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine

C18H22N4S — CID 42740264

IUPACN-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(NC3CCCCC3)c(-c3cccs3)nc2n1
InChIInChI=1S/C18H22N4S/c1-12-11-13(2)22-17(20-14-7-4-3-5-8-14)16(21-18(22)19-12)15-9-6-10-23-15/h6,9-11,14,20H,3-5,7-8H2,1-2H3
InChIKeyYWWMEVLGQNQBLE-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.82
Rot. Bonds3

About N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine

N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 42740264) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID42740264
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC NameN-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(NC3CCCCC3)c(-c3cccs3)nc2n1
InChIInChI=1S/C18H22N4S/c1-12-11-13(2)22-17(20-14-7-4-3-5-8-14)16(21-18(22)19-12)15-9-6-10-23-15/h6,9-11,14,20H,3-5,7-8H2,1-2H3
InChIKeyYWWMEVLGQNQBLE-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 ≤ 500326.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5,7-dimethyl-2-propylimidazo[1,2-a]pyrimidin-3-amine
CID 809421
N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 117088125
N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740298
3-(cyclooctylamino)-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 22510205
N-cyclohexyl-4-thiophen-2-ylphthalazin-1-amine
CID 704890
6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579021
N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579083
N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800139
N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
CID 168868692
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-cyclohexyl-2-(2-fluoro-6-methoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59578939

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine (CID 42740264) is N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine is Cc1cc(C)n2c(NC3CCCCC3)c(-c3cccs3)nc2n1.
What is the InChIKey of N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is YWWMEVLGQNQBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-12-11-13(2)22-17(20-14-7-4-3-5-8-14)16(21-18(22)19-12)15-9-6-10-23-15/h6,9-11,14,20H,3-5,7-8H2,1-2H3.
What are the key properties of N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine?
N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 326.47 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-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 42740264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).