2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine

C19H25ClN2O4 — CID 24971237

IUPAC2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine
SMILESCCC(CC)Oc1c(C)nc(-c2c(OC)cc(Cl)cc2OC)nc1OC
InChIInChI=1S/C19H25ClN2O4/c1-7-13(8-2)26-17-11(3)21-18(22-19(17)25-6)16-14(23-4)9-12(20)10-15(16)24-5/h9-10,13H,7-8H2,1-6H3
InChIKeyKYWWMZUBZXRENK-UHFFFAOYSA-N
MW380.87 g/mol
LogP4.70
Rot. Bonds8

About 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine

2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine (PubChem CID 24971237) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine
PubChem CID24971237
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine
SMILESCCC(CC)Oc1c(C)nc(-c2c(OC)cc(Cl)cc2OC)nc1OC
InChIInChI=1S/C19H25ClN2O4/c1-7-13(8-2)26-17-11(3)21-18(22-19(17)25-6)16-14(23-4)9-12(20)10-15(16)24-5/h9-10,13H,7-8H2,1-6H3
InChIKeyKYWWMZUBZXRENK-UHFFFAOYSA-N
XLogP4.70
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine?
The IUPAC name of 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine (CID 24971237) is 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine.
What is the SMILES notation for 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine?
The canonical SMILES for 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine is CCC(CC)Oc1c(C)nc(-c2c(OC)cc(Cl)cc2OC)nc1OC.
What is the InChIKey of 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine?
The InChIKey is KYWWMZUBZXRENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-7-13(8-2)26-17-11(3)21-18(22-19(17)25-6)16-14(23-4)9-12(20)10-15(16)24-5/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine?
2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine has a molecular weight of 380.87 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-5-pentan-3-yloxypyrimidine is sourced from PubChem (CID 24971237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).