4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine

C18H22N2O2S — CID 3327394

IUPAC4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine
SMILESCc1cc(C)nc(Sc2ccc(OCC3CCCCO3)cc2)n1
InChIInChI=1S/C18H22N2O2S/c1-13-11-14(2)20-18(19-13)23-17-8-6-15(7-9-17)22-12-16-5-3-4-10-21-16/h6-9,11,16H,3-5,10,12H2,1-2H3
InChIKeyWZDHEQFYCMQCEG-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.19
Rot. Bonds5

About 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine

4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine (PubChem CID 3327394) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine
PubChem CID3327394
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine
SMILESCc1cc(C)nc(Sc2ccc(OCC3CCCCO3)cc2)n1
InChIInChI=1S/C18H22N2O2S/c1-13-11-14(2)20-18(19-13)23-17-8-6-15(7-9-17)22-12-16-5-3-4-10-21-16/h6-9,11,16H,3-5,10,12H2,1-2H3
InChIKeyWZDHEQFYCMQCEG-UHFFFAOYSA-N
XLogP4.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 95265259
[6-methyl-2-(oxan-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 107542496
6-methyl-2-(oxan-2-ylmethoxy)furo[2,3-d]pyrimidine
CID 142960191
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
2-[4-(oxan-2-ylmethoxy)phenyl]acetonitrile
CID 43422058
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
2-methyl-N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79156998
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
3-[2-methyl-4-(oxan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 83134156
N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150975

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine (CID 3327394) is 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine is Cc1cc(C)nc(Sc2ccc(OCC3CCCCO3)cc2)n1.
What is the InChIKey of 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine?
The InChIKey is WZDHEQFYCMQCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-11-14(2)20-18(19-13)23-17-8-6-15(7-9-17)22-12-16-5-3-4-10-21-16/h6-9,11,16H,3-5,10,12H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine?
4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine has a molecular weight of 330.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine is sourced from PubChem (CID 3327394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).