(2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol

C7H12N4O4 — CID 118188224

IUPAC(2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol
SMILESCOc1nc(N)nc(OCOCO)c1N
InChIInChI=1S/C7H12N4O4/c1-13-5-4(8)6(11-7(9)10-5)15-3-14-2-12/h12H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyAYUSVEZFDSWTJV-UHFFFAOYSA-N
MW216.20 g/mol
LogP-1.05
Rot. Bonds5

About (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol

(2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol (PubChem CID 118188224) has the molecular formula C7H12N4O4 and a molecular weight of 216.20 g/mol. Its IUPAC name is (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol.

Molecular Properties

Compound Name(2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol
PubChem CID118188224
Molecular FormulaC7H12N4O4
Molecular Weight216.20 g/mol
Exact Mass216.09
IUPAC Name(2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol
SMILESCOc1nc(N)nc(OCOCO)c1N
InChIInChI=1S/C7H12N4O4/c1-13-5-4(8)6(11-7(9)10-5)15-3-14-2-12/h12H,2-3,8H2,1H3,(H2,9,10,11)
InChIKeyAYUSVEZFDSWTJV-UHFFFAOYSA-N
XLogP-1.05
TPSA125.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol?
The IUPAC name of (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol (CID 118188224) is (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol.
What is the SMILES notation for (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol?
The canonical SMILES for (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol is COc1nc(N)nc(OCOCO)c1N.
What is the InChIKey of (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol?
The InChIKey is AYUSVEZFDSWTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4/c1-13-5-4(8)6(11-7(9)10-5)15-3-14-2-12/h12H,2-3,8H2,1H3,(H2,9,10,11).
What are the key properties of (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol?
(2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol has a molecular weight of 216.20 g/mol, XLogP of -1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol is sourced from PubChem (CID 118188224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).