2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine

C8H8N4OS — CID 141034504

IUPAC2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine
SMILESCS(=O)c1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C8H8N4OS/c1-14(13)6-2-3-9-8(12-6)7-10-4-5-11-7/h2-5H,1H3,(H,10,11)
InChIKeyKHIGAKQBZYHQHQ-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.60
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine

2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine (PubChem CID 141034504) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine
PubChem CID141034504
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine
SMILESCS(=O)c1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C8H8N4OS/c1-14(13)6-2-3-9-8(12-6)7-10-4-5-11-7/h2-5H,1H3,(H,10,11)
InChIKeyKHIGAKQBZYHQHQ-UHFFFAOYSA-N
XLogP0.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(1H-imidazol-2-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21279744
2-[4-bromo-5-(trifluoromethyl)-1H-imidazol-2-yl]-4-methylsulfonylpyrimidine
CID 140334945
4-Methylsulfonyl-2-[2-(trifluoromethyl)imidazol-1-yl]pyrimidine
CID 172330574
N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774978
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774979
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774980
4-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyrimidine
CID 107780795
6-(1H-imidazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107784851
N-ethyl-5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784858
5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 107784895
5-fluoro-4-(1H-imidazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107784934
5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784935

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine?
The IUPAC name of 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine (CID 141034504) is 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine is CS(=O)c1ccnc(-c2ncc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine?
The InChIKey is KHIGAKQBZYHQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-14(13)6-2-3-9-8(12-6)7-10-4-5-11-7/h2-5H,1H3,(H,10,11).
What are the key properties of 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine?
2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine has a molecular weight of 208.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-4-methylsulfinylpyrimidine is sourced from PubChem (CID 141034504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).