4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine

C16H26N4S2 — CID 133484522

IUPAC4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine
SMILESCC1CN(c2cc(N3CC(C)SC(C)C3)ncn2)CC(C)S1
InChIInChI=1S/C16H26N4S2/c1-11-6-19(7-12(2)21-11)15-5-16(18-10-17-15)20-8-13(3)22-14(4)9-20/h5,10-14H,6-9H2,1-4H3
InChIKeySCKKDDYKFWCXAO-UHFFFAOYSA-N
MW338.55 g/mol
LogP3.14
Rot. Bonds2

About 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine

4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine (PubChem CID 133484522) has the molecular formula C16H26N4S2 and a molecular weight of 338.55 g/mol. Its IUPAC name is 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine
PubChem CID133484522
Molecular FormulaC16H26N4S2
Molecular Weight338.55 g/mol
Exact Mass338.16
IUPAC Name4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine
SMILESCC1CN(c2cc(N3CC(C)SC(C)C3)ncn2)CC(C)S1
InChIInChI=1S/C16H26N4S2/c1-11-6-19(7-12(2)21-11)15-5-16(18-10-17-15)20-8-13(3)22-14(4)9-20/h5,10-14H,6-9H2,1-4H3
InChIKeySCKKDDYKFWCXAO-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]hydrazine
CID 80913366
5-(2,6-dimethylthiomorpholin-4-yl)pyrazin-2-amine
CID 80653156
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
CID 76837839
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
CID 80835991
8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane
CID 163929188
1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
CID 133464428
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methylpyrimidin-2-yl]hydrazine
CID 80911673
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
(5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 125138758

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine?
The IUPAC name of 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine (CID 133484522) is 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine is CC1CN(c2cc(N3CC(C)SC(C)C3)ncn2)CC(C)S1.
What is the InChIKey of 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine?
The InChIKey is SCKKDDYKFWCXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S2/c1-11-6-19(7-12(2)21-11)15-5-16(18-10-17-15)20-8-13(3)22-14(4)9-20/h5,10-14H,6-9H2,1-4H3.
What are the key properties of 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine?
4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine has a molecular weight of 338.55 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine is sourced from PubChem (CID 133484522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).