4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine

C14H26N3O5P — CID 11110802

IUPAC4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine
SMILESCc1cc(OCCOCP(=O)(OC(C)C)OC(C)C)nc(N)n1
InChIInChI=1S/C14H26N3O5P/c1-10(2)21-23(18,22-11(3)4)9-19-6-7-20-13-8-12(5)16-14(15)17-13/h8,10-11H,6-7,9H2,1-5H3,(H2,15,16,17)
InChIKeyAOYZFKMIQWTIME-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.76
Rot. Bonds10

About 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine

4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine (PubChem CID 11110802) has the molecular formula C14H26N3O5P and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine
PubChem CID11110802
Molecular FormulaC14H26N3O5P
Molecular Weight347.35 g/mol
Exact Mass347.16
IUPAC Name4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine
SMILESCc1cc(OCCOCP(=O)(OC(C)C)OC(C)C)nc(N)n1
InChIInChI=1S/C14H26N3O5P/c1-10(2)21-23(18,22-11(3)4)9-19-6-7-20-13-8-12(5)16-14(15)17-13/h8,10-11H,6-7,9H2,1-5H3,(H2,15,16,17)
InChIKeyAOYZFKMIQWTIME-UHFFFAOYSA-N
XLogP2.76
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine (CID 11110802) is 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine is Cc1cc(OCCOCP(=O)(OC(C)C)OC(C)C)nc(N)n1.
What is the InChIKey of 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine?
The InChIKey is AOYZFKMIQWTIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N3O5P/c1-10(2)21-23(18,22-11(3)4)9-19-6-7-20-13-8-12(5)16-14(15)17-13/h8,10-11H,6-7,9H2,1-5H3,(H2,15,16,17).
What are the key properties of 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine?
4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine has a molecular weight of 347.35 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 11110802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).