2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine

C24H28N2O4 — CID 90681088

IUPAC2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine
SMILESCOc1cc(CC(COCc2ccccc2)COCc2ccccc2)nc(OC)n1
InChIInChI=1S/C24H28N2O4/c1-27-23-14-22(25-24(26-23)28-2)13-21(17-29-15-19-9-5-3-6-10-19)18-30-16-20-11-7-4-8-12-20/h3-12,14,21H,13,15-18H2,1-2H3
InChIKeyZTTYYXZMFFCESY-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.09
Rot. Bonds12

About 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine

2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine (PubChem CID 90681088) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine
PubChem CID90681088
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine
SMILESCOc1cc(CC(COCc2ccccc2)COCc2ccccc2)nc(OC)n1
InChIInChI=1S/C24H28N2O4/c1-27-23-14-22(25-24(26-23)28-2)13-21(17-29-15-19-9-5-3-6-10-19)18-30-16-20-11-7-4-8-12-20/h3-12,14,21H,13,15-18H2,1-2H3
InChIKeyZTTYYXZMFFCESY-UHFFFAOYSA-N
XLogP4.09
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine?
The IUPAC name of 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine (CID 90681088) is 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine is COc1cc(CC(COCc2ccccc2)COCc2ccccc2)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine?
The InChIKey is ZTTYYXZMFFCESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-27-23-14-22(25-24(26-23)28-2)13-21(17-29-15-19-9-5-3-6-10-19)18-30-16-20-11-7-4-8-12-20/h3-12,14,21H,13,15-18H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine?
2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine has a molecular weight of 408.50 g/mol, XLogP of 4.09, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine is sourced from PubChem (CID 90681088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).