(4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine

C8H16N2OS — CID 915225

IUPAC(4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
SMILESCO[C@H]1C[C@@H](C)N=C(SC)N1C
InChIInChI=1S/C8H16N2OS/c1-6-5-7(11-3)10(2)8(9-6)12-4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyZPVLYCOIFHJJRZ-RQJHMYQMSA-N
MW188.30 g/mol
LogP1.40
Rot. Bonds1

About (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine

(4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine (PubChem CID 915225) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name(4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
PubChem CID915225
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name(4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
SMILESCO[C@H]1C[C@@H](C)N=C(SC)N1C
InChIInChI=1S/C8H16N2OS/c1-6-5-7(11-3)10(2)8(9-6)12-4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyZPVLYCOIFHJJRZ-RQJHMYQMSA-N
XLogP1.40
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,6R)-2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine
CID 911856
(4S,6S)-2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine
CID 911857
(4R,6R)-2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine
CID 911858
(4R,6S)-2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine
CID 911859
(4S,6R)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
CID 915222
(4R,6R)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
CID 915223
(4S,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
CID 915224
6-Methoxy-1,4-dimethyl-2-(methylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 3783851
2-ethylsulfanyl-6-methoxy-1,4-dimethyl-5,6-dihydro-4H-pyrimidine
CID 3836557
4-Methoxy-3,6-dimethyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium
CID 4320189
4-Methoxy-3,6-dimethyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium iodide
CID 44657187
2-(Ethylthio)-6-methoxy-1,4-dimethyl-1,4,5,6-tetrahydropyrimidine hydroiodide
CID 52997285

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine (CID 915225) is (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine is CO[C@H]1C[C@@H](C)N=C(SC)N1C.
What is the InChIKey of (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is ZPVLYCOIFHJJRZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6-5-7(11-3)10(2)8(9-6)12-4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine?
(4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 188.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-methoxy-1,4-dimethyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 915225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).