4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine

C16H20N2O2 — CID 74242452

IUPAC4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
SMILESCOCc1cc(-c2cccc(OCC(C)C)c2)ncn1
InChIInChI=1S/C16H20N2O2/c1-12(2)9-20-15-6-4-5-13(7-15)16-8-14(10-19-3)17-11-18-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeySZVVDZHJLHVXKY-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds6

About 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine

4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine (PubChem CID 74242452) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
PubChem CID74242452
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
SMILESCOCc1cc(-c2cccc(OCC(C)C)c2)ncn1
InChIInChI=1S/C16H20N2O2/c1-12(2)9-20-15-6-4-5-13(7-15)16-8-14(10-19-3)17-11-18-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeySZVVDZHJLHVXKY-UHFFFAOYSA-N
XLogP3.32
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-methoxyphenyl)pyrimidin-4-yl]methanamine
CID 28904662
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852082
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine
CID 74230024
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784
4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 82161283
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
N',N'-diethyl-N-[1-[3-(6-methylpyrimidin-4-yl)phenoxy]propan-2-yl]ethane-1,2-diamine
CID 175884785

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine?
The IUPAC name of 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine (CID 74242452) is 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine?
The canonical SMILES for 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine is COCc1cc(-c2cccc(OCC(C)C)c2)ncn1.
What is the InChIKey of 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine?
The InChIKey is SZVVDZHJLHVXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)9-20-15-6-4-5-13(7-15)16-8-14(10-19-3)17-11-18-16/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine?
4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine has a molecular weight of 272.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine is sourced from PubChem (CID 74242452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).