2-ethenylsulfanyl-5-propan-2-ylpyrimidine

C9H12N2S — CID 172599739

IUPAC2-ethenylsulfanyl-5-propan-2-ylpyrimidine
SMILESC=CSc1ncc(C(C)C)cn1
InChIInChI=1S/C9H12N2S/c1-4-12-9-10-5-8(6-11-9)7(2)3/h4-7H,1H2,2-3H3
InChIKeyRNNGVCIDKORNSB-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.84
Rot. Bonds3

About 2-ethenylsulfanyl-5-propan-2-ylpyrimidine

2-ethenylsulfanyl-5-propan-2-ylpyrimidine (PubChem CID 172599739) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-ethenylsulfanyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-ethenylsulfanyl-5-propan-2-ylpyrimidine
PubChem CID172599739
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-ethenylsulfanyl-5-propan-2-ylpyrimidine
SMILESC=CSc1ncc(C(C)C)cn1
InChIInChI=1S/C9H12N2S/c1-4-12-9-10-5-8(6-11-9)7(2)3/h4-7H,1H2,2-3H3
InChIKeyRNNGVCIDKORNSB-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-fluoro-5-propan-2-ylpyrimidine
CID 178173609
N-(5-propan-2-ylpyrimidin-2-yl)formamide
CID 130210238
2-(5-propan-2-ylpyrimidin-2-yl)acetonitrile
CID 166553342
2-methylsulfanyl-N-(4-propan-2-ylphenyl)pyrimidin-5-amine
CID 151172135
1-(5-propan-2-ylpyrimidin-2-yl)ethanone
CID 83914336
1-(6-ethenyl-3-pyridinyl)ethanamine
CID 74788745
ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine
CID 178008358
3,6-di(propan-2-yl)-1,8-naphthyridine
CID 166719717
N-(5-propan-2-ylpyrimidin-2-yl)acetamide
CID 58015222
1-(6-amino-3-pyridinyl)ethanol;hydrobromide
CID 142775788
3-ethenyl-5-propan-2-ylpyridine
CID 74788587
ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyl-5-propan-2-ylpyrimidine?
The IUPAC name of 2-ethenylsulfanyl-5-propan-2-ylpyrimidine (CID 172599739) is 2-ethenylsulfanyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-ethenylsulfanyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-ethenylsulfanyl-5-propan-2-ylpyrimidine is C=CSc1ncc(C(C)C)cn1.
What is the InChIKey of 2-ethenylsulfanyl-5-propan-2-ylpyrimidine?
The InChIKey is RNNGVCIDKORNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-4-12-9-10-5-8(6-11-9)7(2)3/h4-7H,1H2,2-3H3.
What are the key properties of 2-ethenylsulfanyl-5-propan-2-ylpyrimidine?
2-ethenylsulfanyl-5-propan-2-ylpyrimidine has a molecular weight of 180.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 172599739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).