4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine

C14H16N2O — CID 13302362

IUPAC4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine
SMILESCOc1cc(C)nc(CCc2ccccc2)n1
InChIInChI=1S/C14H16N2O/c1-11-10-14(17-2)16-13(15-11)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKeyCEFCNCVDMAMYPW-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.58
Rot. Bonds4

About 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine

4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine (PubChem CID 13302362) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine
PubChem CID13302362
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine
SMILESCOc1cc(C)nc(CCc2ccccc2)n1
InChIInChI=1S/C14H16N2O/c1-11-10-14(17-2)16-13(15-11)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
InChIKeyCEFCNCVDMAMYPW-UHFFFAOYSA-N
XLogP2.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine (CID 13302362) is 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine is COc1cc(C)nc(CCc2ccccc2)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine?
The InChIKey is CEFCNCVDMAMYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-10-14(17-2)16-13(15-11)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine?
4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine has a molecular weight of 228.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 13302362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).