2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol

C21H32N4O5 — CID 134461855

IUPAC2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol
SMILESCC(C)c1ccnc(OCCOCc2cc(C(C)C)nc(OC(C)(CO)CO)n2)n1
InChIInChI=1S/C21H32N4O5/c1-14(2)17-6-7-22-19(24-17)29-9-8-28-11-16-10-18(15(3)4)25-20(23-16)30-21(5,12-26)13-27/h6-7,10,14-15,26-27H,8-9,11-13H2,1-5H3
InChIKeyORSZZDQMHWXELP-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.23
Rot. Bonds12

About 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol

2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol (PubChem CID 134461855) has the molecular formula C21H32N4O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol
PubChem CID134461855
Molecular FormulaC21H32N4O5
Molecular Weight420.51 g/mol
Exact Mass420.24
IUPAC Name2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol
SMILESCC(C)c1ccnc(OCCOCc2cc(C(C)C)nc(OC(C)(CO)CO)n2)n1
InChIInChI=1S/C21H32N4O5/c1-14(2)17-6-7-22-19(24-17)29-9-8-28-11-16-10-18(15(3)4)25-20(23-16)30-21(5,12-26)13-27/h6-7,10,14-15,26-27H,8-9,11-13H2,1-5H3
InChIKeyORSZZDQMHWXELP-UHFFFAOYSA-N
XLogP2.23
TPSA119.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol?
The IUPAC name of 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol (CID 134461855) is 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol?
The canonical SMILES for 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol is CC(C)c1ccnc(OCCOCc2cc(C(C)C)nc(OC(C)(CO)CO)n2)n1.
What is the InChIKey of 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol?
The InChIKey is ORSZZDQMHWXELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5/c1-14(2)17-6-7-22-19(24-17)29-9-8-28-11-16-10-18(15(3)4)25-20(23-16)30-21(5,12-26)13-27/h6-7,10,14-15,26-27H,8-9,11-13H2,1-5H3.
What are the key properties of 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol?
2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol has a molecular weight of 420.51 g/mol, XLogP of 2.23, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-propan-2-yl-6-[2-(4-propan-2-ylpyrimidin-2-yl)oxyethoxymethyl]pyrimidin-2-yl]oxypropane-1,3-diol is sourced from PubChem (CID 134461855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).