N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide

C24H27N3O7 — CID 71570517

IUPACN-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1cc(-c2cc(NC(C)=O)nc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC
InChIInChI=1S/C24H27N3O7/c1-13(28)25-21-12-16(14-8-17(29-2)22(33-6)18(9-14)30-3)26-24(27-21)15-10-19(31-4)23(34-7)20(11-15)32-5/h8-12H,1-7H3,(H,25,26,27,28)
InChIKeyKXEBOASEBSCFDO-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.82
Rot. Bonds9

About N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide

N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 71570517) has the molecular formula C24H27N3O7 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID71570517
Molecular FormulaC24H27N3O7
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC NameN-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
SMILESCOc1cc(-c2cc(NC(C)=O)nc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC
InChIInChI=1S/C24H27N3O7/c1-13(28)25-21-12-16(14-8-17(29-2)22(33-6)18(9-14)30-3)26-24(27-21)15-10-19(31-4)23(34-7)20(11-15)32-5/h8-12H,1-7H3,(H,25,26,27,28)
InChIKeyKXEBOASEBSCFDO-UHFFFAOYSA-N
XLogP3.82
TPSA110.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide (CID 71570517) is N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide is COc1cc(-c2cc(NC(C)=O)nc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC.
What is the InChIKey of N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is KXEBOASEBSCFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7/c1-13(28)25-21-12-16(14-8-17(29-2)22(33-6)18(9-14)30-3)26-24(27-21)15-10-19(31-4)23(34-7)20(11-15)32-5/h8-12H,1-7H3,(H,25,26,27,28).
What are the key properties of N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide?
N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide has a molecular weight of 469.49 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 71570517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).