N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

C20H27N3O2 — CID 133272789

IUPACN-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(C)cc1C1(CNc2cc(C)nc(C)n2)CCOCC1
InChIInChI=1S/C20H27N3O2/c1-14-5-6-18(24-4)17(11-14)20(7-9-25-10-8-20)13-21-19-12-15(2)22-16(3)23-19/h5-6,11-12H,7-10,13H2,1-4H3,(H,21,22,23)
InChIKeyVNXUAYFGKHPWSG-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.57
Rot. Bonds5

About N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 133272789) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID133272789
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(C)cc1C1(CNc2cc(C)nc(C)n2)CCOCC1
InChIInChI=1S/C20H27N3O2/c1-14-5-6-18(24-4)17(11-14)20(7-9-25-10-8-20)13-21-19-12-15(2)22-16(3)23-19/h5-6,11-12H,7-10,13H2,1-4H3,(H,21,22,23)
InChIKeyVNXUAYFGKHPWSG-UHFFFAOYSA-N
XLogP3.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (CID 133272789) is N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is COc1ccc(C)cc1C1(CNc2cc(C)nc(C)n2)CCOCC1.
What is the InChIKey of N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is VNXUAYFGKHPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-5-6-18(24-4)17(11-14)20(7-9-25-10-8-20)13-21-19-12-15(2)22-16(3)23-19/h5-6,11-12H,7-10,13H2,1-4H3,(H,21,22,23).
What are the key properties of N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133272789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).