6-methoxy-4-N-methylpyrimidine-2,4,5-triamine

C6H11N5O — CID 89207307

IUPAC6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
SMILESCNc1nc(N)nc(OC)c1N
InChIInChI=1S/C6H11N5O/c1-9-4-3(7)5(12-2)11-6(8)10-4/h7H2,1-2H3,(H3,8,9,10,11)
InChIKeyAFAQEDIVAWGQOG-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.31
Rot. Bonds2

About 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine

6-methoxy-4-N-methylpyrimidine-2,4,5-triamine (PubChem CID 89207307) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
PubChem CID89207307
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
SMILESCNc1nc(N)nc(OC)c1N
InChIInChI=1S/C6H11N5O/c1-9-4-3(7)5(12-2)11-6(8)10-4/h7H2,1-2H3,(H3,8,9,10,11)
InChIKeyAFAQEDIVAWGQOG-UHFFFAOYSA-N
XLogP-0.31
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine?
The IUPAC name of 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine (CID 89207307) is 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine?
The canonical SMILES for 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine is CNc1nc(N)nc(OC)c1N.
What is the InChIKey of 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine?
The InChIKey is AFAQEDIVAWGQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-9-4-3(7)5(12-2)11-6(8)10-4/h7H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine?
6-methoxy-4-N-methylpyrimidine-2,4,5-triamine has a molecular weight of 169.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methylpyrimidine-2,4,5-triamine is sourced from PubChem (CID 89207307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).