4-(3-methoxyphenyl)-2,6-dimethylpyrimidine

C13H14N2O — CID 116897003

IUPAC4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
SMILESCOc1cccc(-c2cc(C)nc(C)n2)c1
InChIInChI=1S/C13H14N2O/c1-9-7-13(15-10(2)14-9)11-5-4-6-12(8-11)16-3/h4-8H,1-3H3
InChIKeyFVPBFQSODUJRDU-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.77
Rot. Bonds2

About 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine

4-(3-methoxyphenyl)-2,6-dimethylpyrimidine (PubChem CID 116897003) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
PubChem CID116897003
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
SMILESCOc1cccc(-c2cc(C)nc(C)n2)c1
InChIInChI=1S/C13H14N2O/c1-9-7-13(15-10(2)14-9)11-5-4-6-12(8-11)16-3/h4-8H,1-3H3
InChIKeyFVPBFQSODUJRDU-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896700
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine
CID 82192539
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 175167535
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
CID 101485058
6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846648

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine?
The IUPAC name of 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine (CID 116897003) is 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine is COc1cccc(-c2cc(C)nc(C)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine?
The InChIKey is FVPBFQSODUJRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-7-13(15-10(2)14-9)11-5-4-6-12(8-11)16-3/h4-8H,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine?
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine has a molecular weight of 214.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 116897003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).