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

C13H24N3O5P — CID 10640381

IUPAC4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine
SMILESCC(C)OP(=O)(COCCOc1ccnc(N)n1)OC(C)C
InChIInChI=1S/C13H24N3O5P/c1-10(2)20-22(17,21-11(3)4)9-18-7-8-19-12-5-6-15-13(14)16-12/h5-6,10-11H,7-9H2,1-4H3,(H2,14,15,16)
InChIKeyZVPSPIPZWGHSOP-UHFFFAOYSA-N
MW333.33 g/mol
LogP2.45
Rot. Bonds10

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

4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine (PubChem CID 10640381) has the molecular formula C13H24N3O5P and a molecular weight of 333.33 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine
PubChem CID10640381
Molecular FormulaC13H24N3O5P
Molecular Weight333.33 g/mol
Exact Mass333.15
IUPAC Name4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine
SMILESCC(C)OP(=O)(COCCOc1ccnc(N)n1)OC(C)C
InChIInChI=1S/C13H24N3O5P/c1-10(2)20-22(17,21-11(3)4)9-18-7-8-19-12-5-6-15-13(14)16-12/h5-6,10-11H,7-9H2,1-4H3,(H2,14,15,16)
InChIKeyZVPSPIPZWGHSOP-UHFFFAOYSA-N
XLogP2.45
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 52.45
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]pyrimidin-2-amine?
The IUPAC name of 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine (CID 10640381) is 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine is CC(C)OP(=O)(COCCOc1ccnc(N)n1)OC(C)C.
What is the InChIKey of 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine?
The InChIKey is ZVPSPIPZWGHSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N3O5P/c1-10(2)20-22(17,21-11(3)4)9-18-7-8-19-12-5-6-15-13(14)16-12/h5-6,10-11H,7-9H2,1-4H3,(H2,14,15,16).
What are the key properties of 4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine?
4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine has a molecular weight of 333.33 g/mol, XLogP of 2.45, 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]pyrimidin-2-amine is sourced from PubChem (CID 10640381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).