ethane;5-methoxy-2,4-dimethylpyrimidine

C9H16N2O — CID 145013218

IUPACethane;5-methoxy-2,4-dimethylpyrimidine
SMILESCC.COc1cnc(C)nc1C
InChIInChI=1S/C7H10N2O.C2H6/c1-5-7(10-3)4-8-6(2)9-5;1-2/h4H,1-3H3;1-2H3
InChIKeyRTDLFBUHKZHFIN-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds1

About ethane;5-methoxy-2,4-dimethylpyrimidine

ethane;5-methoxy-2,4-dimethylpyrimidine (PubChem CID 145013218) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;5-methoxy-2,4-dimethylpyrimidine.

Molecular Properties

Compound Nameethane;5-methoxy-2,4-dimethylpyrimidine
PubChem CID145013218
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;5-methoxy-2,4-dimethylpyrimidine
SMILESCC.COc1cnc(C)nc1C
InChIInChI=1S/C7H10N2O.C2H6/c1-5-7(10-3)4-8-6(2)9-5;1-2/h4H,1-3H3;1-2H3
InChIKeyRTDLFBUHKZHFIN-UHFFFAOYSA-N
XLogP2.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-methylpyrimidine-4-carbonyl chloride
CID 119084988
5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
8-methoxy-2,6-dimethylquinazoline
CID 143712441
ethane;5-methoxy-2-methylpyrimidine
CID 143166828
5-(methoxymethyl)-2,4-dimethylpyrimidine
CID 54133369
4-(2,4-dimethylpyrimidin-5-yl)oxybenzaldehyde
CID 115036624
[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine
CID 115037235
3-(5-methoxy-2-methylpyrimidin-4-yl)-2-methylpropan-1-amine
CID 83879523
5-(3-bromophenoxy)-2,4-dimethylpyrimidine
CID 115051397
4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid
CID 115055251
[2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropyl]methanol
CID 67281799
6,7-dimethoxy-2,4-dimethylquinazoline;ethane
CID 163274874

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-2,4-dimethylpyrimidine?
The IUPAC name of ethane;5-methoxy-2,4-dimethylpyrimidine (CID 145013218) is ethane;5-methoxy-2,4-dimethylpyrimidine.
What is the SMILES notation for ethane;5-methoxy-2,4-dimethylpyrimidine?
The canonical SMILES for ethane;5-methoxy-2,4-dimethylpyrimidine is CC.COc1cnc(C)nc1C.
What is the InChIKey of ethane;5-methoxy-2,4-dimethylpyrimidine?
The InChIKey is RTDLFBUHKZHFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-5-7(10-3)4-8-6(2)9-5;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;5-methoxy-2,4-dimethylpyrimidine?
ethane;5-methoxy-2,4-dimethylpyrimidine has a molecular weight of 168.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-2,4-dimethylpyrimidine is sourced from PubChem (CID 145013218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).