4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine

C16H20N2O — CID 59743640

IUPAC4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(C(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N2O/c1-16(2,3)14-10-13(11-19-4)17-15(18-14)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
InChIKeyJRQODCRYLLQRNV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.59
Rot. Bonds3

About 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine

4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine (PubChem CID 59743640) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine
PubChem CID59743640
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(C(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N2O/c1-16(2,3)14-10-13(11-19-4)17-15(18-14)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
InChIKeyJRQODCRYLLQRNV-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 155790859
4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine
CID 67464304
[2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 62321054
4-tert-butyl-2-(methoxymethyl)quinoline
CID 165372227
4-(methoxymethyl)-6-methyl-2-(3-methylphenyl)pyrimidine
CID 142147287
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 71564077
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 71564074
6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 62319679
3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 62321190
6-(methoxymethyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 62319493
2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319129
2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 55062587

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine (CID 59743640) is 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine is COCc1cc(C(C)(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine?
The InChIKey is JRQODCRYLLQRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,3)14-10-13(11-19-4)17-15(18-14)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3.
What are the key properties of 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine?
4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine has a molecular weight of 256.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 59743640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).