(4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol

C6H12N2OS — CID 13404117

IUPAC(4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol
SMILESCSC1=N[C@H](O)C[C@@H](C)N1
InChIInChI=1S/C6H12N2OS/c1-4-3-5(9)8-6(7-4)10-2/h4-5,9H,3H2,1-2H3,(H,7,8)/t4-,5-/m1/s1
InChIKeySEVYXRVPQUVWRA-RFZPGFLSSA-N
MW160.24 g/mol
LogP0.41
Rot. Bonds

About (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol

(4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol (PubChem CID 13404117) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol.

Molecular Properties

Compound Name(4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol
PubChem CID13404117
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name(4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol
SMILESCSC1=N[C@H](O)C[C@@H](C)N1
InChIInChI=1S/C6H12N2OS/c1-4-3-5(9)8-6(7-4)10-2/h4-5,9H,3H2,1-2H3,(H,7,8)/t4-,5-/m1/s1
InChIKeySEVYXRVPQUVWRA-RFZPGFLSSA-N
XLogP0.41
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol?
The IUPAC name of (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol (CID 13404117) is (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol.
What is the SMILES notation for (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol?
The canonical SMILES for (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol is CSC1=N[C@H](O)C[C@@H](C)N1.
What is the InChIKey of (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol?
The InChIKey is SEVYXRVPQUVWRA-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-4-3-5(9)8-6(7-4)10-2/h4-5,9H,3H2,1-2H3,(H,7,8)/t4-,5-/m1/s1.
What are the key properties of (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol?
(4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol has a molecular weight of 160.24 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-4-ol is sourced from PubChem (CID 13404117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).