2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine

C18H24N2O2 — CID 118445649

IUPAC2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine
SMILESCOc1nc(C)c(-c2ccc(OC(C)(C)C)cc2C)c(C)n1
InChIInChI=1S/C18H24N2O2/c1-11-10-14(22-18(4,5)6)8-9-15(11)16-12(2)19-17(21-7)20-13(16)3/h8-10H,1-7H3
InChIKeyAMSLAMSNBDKGHX-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.25
Rot. Bonds3

About 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine

2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine (PubChem CID 118445649) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine
PubChem CID118445649
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine
SMILESCOc1nc(C)c(-c2ccc(OC(C)(C)C)cc2C)c(C)n1
InChIInChI=1S/C18H24N2O2/c1-11-10-14(22-18(4,5)6)8-9-15(11)16-12(2)19-17(21-7)20-13(16)3/h8-10H,1-7H3
InChIKeyAMSLAMSNBDKGHX-UHFFFAOYSA-N
XLogP4.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine?
The IUPAC name of 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine (CID 118445649) is 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine.
What is the SMILES notation for 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine?
The canonical SMILES for 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine is COc1nc(C)c(-c2ccc(OC(C)(C)C)cc2C)c(C)n1.
What is the InChIKey of 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine?
The InChIKey is AMSLAMSNBDKGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-10-14(22-18(4,5)6)8-9-15(11)16-12(2)19-17(21-7)20-13(16)3/h8-10H,1-7H3.
What are the key properties of 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine?
2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine has a molecular weight of 300.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine is sourced from PubChem (CID 118445649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).