6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine

C13H25N4O5P — CID 10958987

IUPAC6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine
SMILESCC(C)OP(=O)(COCCOc1cc(N)nc(N)n1)OC(C)C
InChIInChI=1S/C13H25N4O5P/c1-9(2)21-23(18,22-10(3)4)8-19-5-6-20-12-7-11(14)16-13(15)17-12/h7,9-10H,5-6,8H2,1-4H3,(H4,14,15,16,17)
InChIKeyPXPFACYWCXSPRV-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.04
Rot. Bonds10

About 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine

6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine (PubChem CID 10958987) has the molecular formula C13H25N4O5P and a molecular weight of 348.34 g/mol. Its IUPAC name is 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine
PubChem CID10958987
Molecular FormulaC13H25N4O5P
Molecular Weight348.34 g/mol
Exact Mass348.16
IUPAC Name6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine
SMILESCC(C)OP(=O)(COCCOc1cc(N)nc(N)n1)OC(C)C
InChIInChI=1S/C13H25N4O5P/c1-9(2)21-23(18,22-10(3)4)8-19-5-6-20-12-7-11(14)16-13(15)17-12/h7,9-10H,5-6,8H2,1-4H3,(H4,14,15,16,17)
InChIKeyPXPFACYWCXSPRV-UHFFFAOYSA-N
XLogP2.04
TPSA131.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Etrimfos
CID 37995
Phosphonic acid, [[2-[(2,6-diamino-4-pyrimidinyl)oxy]ethoxy]methyl]-
CID 493045
6-[2-(Diisopropoxyphosphorylmethoxy)ethoxy]pyrimidin-4-amine
CID 493042
2-(6-Aminopyrimidin-4-yl)oxyethoxymethylphosphonic acid
CID 493043
2-[2-Amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493053
2-[2-Amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493055
2-[2-Amino-6-(cyclopropylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493050
2-(2,6-Diamino-5-methyl-pyrimidin-4-yl)oxyethoxymethylphosphonic acid
CID 3011374
[(1S)-1-[(2,6-diaminopyrimidin-4-yl)oxymethyl]-2-hydroxy-ethoxy]methylphosphonic acid
CID 3011383
[2-(2,6-Diaminopyrimidin-4-yl)oxyethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 137656437
[2-(2,6-Diaminopyrimidin-4-yl)oxyethoxymethyl-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
CID 137659149
[(1R)-1-[(2,6-diaminopyrimidin-4-yl)oxymethyl]-2-hydroxy-ethoxy]methylphosphonic acid
CID 6480061

Frequently Asked Questions

What is the IUPAC name of 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine (CID 10958987) is 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine is CC(C)OP(=O)(COCCOc1cc(N)nc(N)n1)OC(C)C.
What is the InChIKey of 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine?
The InChIKey is PXPFACYWCXSPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N4O5P/c1-9(2)21-23(18,22-10(3)4)8-19-5-6-20-12-7-11(14)16-13(15)17-12/h7,9-10H,5-6,8H2,1-4H3,(H4,14,15,16,17).
What are the key properties of 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine?
6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine has a molecular weight of 348.34 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 10958987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).