4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine

C7H13N5O3 — CID 144603065

IUPAC4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine
SMILESCNc1nc(N)nc(OCOOC)c1N
InChIInChI=1S/C7H13N5O3/c1-10-5-4(8)6(12-7(9)11-5)14-3-15-13-2/h3,8H2,1-2H3,(H3,9,10,11,12)
InChIKeyICKAXQZLXYJAFY-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.40
Rot. Bonds5

About 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine

4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine (PubChem CID 144603065) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine
PubChem CID144603065
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine
SMILESCNc1nc(N)nc(OCOOC)c1N
InChIInChI=1S/C7H13N5O3/c1-10-5-4(8)6(12-7(9)11-5)14-3-15-13-2/h3,8H2,1-2H3,(H3,9,10,11,12)
InChIKeyICKAXQZLXYJAFY-UHFFFAOYSA-N
XLogP-0.40
TPSA117.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.40
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
CID 89207307
6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
CID 82455314
2-ethyl-6-(2-methoxyethoxy)-4-N-methylpyrimidine-4,5-diamine
CID 82455778
(2,5-diamino-6-methoxypyrimidin-4-yl)oxymethoxymethanol
CID 118188224
4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine
CID 21059252
5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine
CID 21483297
2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456285
4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine
CID 144995624
5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-methylpyrimidine-2,4-diamine
CID 134569016
4-[2-(dimethylamino)ethoxy]-6-methoxypyrimidine-2,5-diamine
CID 118167317
N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide
CID 23829139
(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-2-(hydroxymethyl)-4,4-dimethyloxolan-3-ol
CID 167334641

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine (CID 144603065) is 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine is CNc1nc(N)nc(OCOOC)c1N.
What is the InChIKey of 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine?
The InChIKey is ICKAXQZLXYJAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3/c1-10-5-4(8)6(12-7(9)11-5)14-3-15-13-2/h3,8H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine?
4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine has a molecular weight of 215.21 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 144603065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).