4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine

C13H18N4S — CID 118300413

IUPAC4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine
SMILESCc1cc(C)nc(SCc2nccn2C(C)C)n1
InChIInChI=1S/C13H18N4S/c1-9(2)17-6-5-14-12(17)8-18-13-15-10(3)7-11(4)16-13/h5-7,9H,8H2,1-4H3
InChIKeyXLKZVJWRHKLNFT-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.16
Rot. Bonds4

About 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine

4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine (PubChem CID 118300413) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine
PubChem CID118300413
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine
SMILESCc1cc(C)nc(SCc2nccn2C(C)C)n1
InChIInChI=1S/C13H18N4S/c1-9(2)17-6-5-14-12(17)8-18-13-15-10(3)7-11(4)16-13/h5-7,9H,8H2,1-4H3
InChIKeyXLKZVJWRHKLNFT-UHFFFAOYSA-N
XLogP3.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 2998062
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
1-(1H-imidazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56714603
4-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]-1-piperazinyl}-6-(trifluoromethyl)pyrimidine
CID 56906811
4-methyl-N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}pyrimidin-2-amine
CID 72939356
4,6-Dimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828207
4,6-Dimethyl-2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110257118
4,6-Dimethyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 44183414

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine (CID 118300413) is 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine is Cc1cc(C)nc(SCc2nccn2C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine?
The InChIKey is XLKZVJWRHKLNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)17-6-5-14-12(17)8-18-13-15-10(3)7-11(4)16-13/h5-7,9H,8H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine?
4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine has a molecular weight of 262.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 118300413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).