4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine

C20H30N6O2S2 — CID 161438791

IUPAC4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine
SMILESCSc1cc(N2CCOCC2)nc(C)n1.CSc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/2C10H15N3OS/c1-8-11-9(7-10(12-8)15-2)13-3-5-14-6-4-13;1-8-7-9(12-10(11-8)15-2)13-3-5-14-6-4-13/h2*7H,3-6H2,1-2H3
InChIKeyVYZNZJTTXJGURV-UHFFFAOYSA-N
MW450.63 g/mol
LogP2.69
Rot. Bonds4

About 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine

4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine (PubChem CID 161438791) has the molecular formula C20H30N6O2S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine
PubChem CID161438791
Molecular FormulaC20H30N6O2S2
Molecular Weight450.63 g/mol
Exact Mass450.19
IUPAC Name4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine
SMILESCSc1cc(N2CCOCC2)nc(C)n1.CSc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/2C10H15N3OS/c1-8-11-9(7-10(12-8)15-2)13-3-5-14-6-4-13;1-8-7-9(12-10(11-8)15-2)13-3-5-14-6-4-13/h2*7H,3-6H2,1-2H3
InChIKeyVYZNZJTTXJGURV-UHFFFAOYSA-N
XLogP2.69
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine (CID 161438791) is 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine is CSc1cc(N2CCOCC2)nc(C)n1.CSc1nc(C)cc(N2CCOCC2)n1.
What is the InChIKey of 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine?
The InChIKey is VYZNZJTTXJGURV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N3OS/c1-8-11-9(7-10(12-8)15-2)13-3-5-14-6-4-13;1-8-7-9(12-10(11-8)15-2)13-3-5-14-6-4-13/h2*7H,3-6H2,1-2H3.
What are the key properties of 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine?
4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine has a molecular weight of 450.63 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-methylsulfanylpyrimidin-4-yl)morpholine;4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 161438791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).