4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine

C12H14N2OS2 — CID 57049235

IUPAC4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine
SMILESCC(C)Oc1ccnc(CSc2cccs2)n1
InChIInChI=1S/C12H14N2OS2/c1-9(2)15-11-5-6-13-10(14-11)8-17-12-4-3-7-16-12/h3-7,9H,8H2,1-2H3
InChIKeyCTFZLCDOUNJABD-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.62
Rot. Bonds5

About 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine

4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine (PubChem CID 57049235) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine
PubChem CID57049235
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine
SMILESCC(C)Oc1ccnc(CSc2cccs2)n1
InChIInChI=1S/C12H14N2OS2/c1-9(2)15-11-5-6-13-10(14-11)8-17-12-4-3-7-16-12/h3-7,9H,8H2,1-2H3
InChIKeyCTFZLCDOUNJABD-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile
CID 112639154
4-chloro-2-(thiophen-2-ylsulfanylmethyl)pyridine
CID 79244699
tert-butyl 2-methylpropanoate;ethane;methane;2-propan-2-yloxy-3-(thiophen-2-ylsulfanylmethyl)quinoxaline
CID 158655798
2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 130694723
2-(2,2-diethoxyethylsulfanyl)thiophene
CID 12623867
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
CID 107511242
2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62190130
N-(thiophen-2-ylsulfanylmethyl)propan-2-amine
CID 117032909
methoxymethane;4-propan-2-yloxypyrimidine-2-carbaldehyde
CID 142960710
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55045080

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine (CID 57049235) is 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine is CC(C)Oc1ccnc(CSc2cccs2)n1.
What is the InChIKey of 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine?
The InChIKey is CTFZLCDOUNJABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-9(2)15-11-5-6-13-10(14-11)8-17-12-4-3-7-16-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine?
4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine has a molecular weight of 266.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 57049235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).