2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine

C20H26F2N2O4 — CID 44587457

IUPAC2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine
SMILESCCC(CC)Oc1c(C)nc(-c2c(OC)cc(C(F)F)cc2OC)nc1OC
InChIInChI=1S/C20H26F2N2O4/c1-7-13(8-2)28-17-11(3)23-19(24-20(17)27-6)16-14(25-4)9-12(18(21)22)10-15(16)26-5/h9-10,13,18H,7-8H2,1-6H3
InChIKeyJAMYKAOGUWWSHK-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.98
Rot. Bonds9

About 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine

2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine (PubChem CID 44587457) has the molecular formula C20H26F2N2O4 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine
PubChem CID44587457
Molecular FormulaC20H26F2N2O4
Molecular Weight396.43 g/mol
Exact Mass396.19
IUPAC Name2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine
SMILESCCC(CC)Oc1c(C)nc(-c2c(OC)cc(C(F)F)cc2OC)nc1OC
InChIInChI=1S/C20H26F2N2O4/c1-7-13(8-2)28-17-11(3)23-19(24-20(17)27-6)16-14(25-4)9-12(18(21)22)10-15(16)26-5/h9-10,13,18H,7-8H2,1-6H3
InChIKeyJAMYKAOGUWWSHK-UHFFFAOYSA-N
XLogP4.98
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine?
The IUPAC name of 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine (CID 44587457) is 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine.
What is the SMILES notation for 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine?
The canonical SMILES for 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine is CCC(CC)Oc1c(C)nc(-c2c(OC)cc(C(F)F)cc2OC)nc1OC.
What is the InChIKey of 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine?
The InChIKey is JAMYKAOGUWWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O4/c1-7-13(8-2)28-17-11(3)23-19(24-20(17)27-6)16-14(25-4)9-12(18(21)22)10-15(16)26-5/h9-10,13,18H,7-8H2,1-6H3.
What are the key properties of 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine?
2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine has a molecular weight of 396.43 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine is sourced from PubChem (CID 44587457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).