2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol

C8H12N2OS — CID 19030870

IUPAC2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol
SMILESCC(C)(O)CSc1ncccn1
InChIInChI=1S/C8H12N2OS/c1-8(2,11)6-12-7-9-4-3-5-10-7/h3-5,11H,6H2,1-2H3
InChIKeyGJKDBZHEVAONDV-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol

2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol (PubChem CID 19030870) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol
PubChem CID19030870
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol
SMILESCC(C)(O)CSc1ncccn1
InChIInChI=1S/C8H12N2OS/c1-8(2,11)6-12-7-9-4-3-5-10-7/h3-5,11H,6H2,1-2H3
InChIKeyGJKDBZHEVAONDV-UHFFFAOYSA-N
XLogP1.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol (CID 19030870) is 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol is CC(C)(O)CSc1ncccn1.
What is the InChIKey of 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol?
The InChIKey is GJKDBZHEVAONDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-8(2,11)6-12-7-9-4-3-5-10-7/h3-5,11H,6H2,1-2H3.
What are the key properties of 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol?
2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol has a molecular weight of 184.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrimidin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 19030870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).