2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline

C14H14N4S — CID 43302389

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
SMILESCc1ccc(SCc2cn3cccnc3n2)c(N)c1
InChIInChI=1S/C14H14N4S/c1-10-3-4-13(12(15)7-10)19-9-11-8-18-6-2-5-16-14(18)17-11/h2-8H,9,15H2,1H3
InChIKeyCTGHEFQUSLZQCB-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.91
Rot. Bonds3

About 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline (PubChem CID 43302389) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
PubChem CID43302389
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
SMILESCc1ccc(SCc2cn3cccnc3n2)c(N)c1
InChIInChI=1S/C14H14N4S/c1-10-3-4-13(12(15)7-10)19-9-11-8-18-6-2-5-16-14(18)17-11/h2-8H,9,15H2,1H3
InChIKeyCTGHEFQUSLZQCB-UHFFFAOYSA-N
XLogP2.91
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 43303479
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 126477669
2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4226828
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 700171
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787304
N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 3631724
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 43213368
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine
CID 66228154
[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630146
2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 79143687
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787305

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline (CID 43302389) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline is Cc1ccc(SCc2cn3cccnc3n2)c(N)c1.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline?
The InChIKey is CTGHEFQUSLZQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-3-4-13(12(15)7-10)19-9-11-8-18-6-2-5-16-14(18)17-11/h2-8H,9,15H2,1H3.
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline?
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline has a molecular weight of 270.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline is sourced from PubChem (CID 43302389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).