4-N-methyl-6-phenoxypyrimidine-2,4-diamine

C11H12N4O — CID 80869080

IUPAC4-N-methyl-6-phenoxypyrimidine-2,4-diamine
SMILESCNc1cc(Oc2ccccc2)nc(N)n1
InChIInChI=1S/C11H12N4O/c1-13-9-7-10(15-11(12)14-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H3,12,13,14,15)
InChIKeyQSEUPMJBKQHCBE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.89
Rot. Bonds3

About 4-N-methyl-6-phenoxypyrimidine-2,4-diamine

4-N-methyl-6-phenoxypyrimidine-2,4-diamine (PubChem CID 80869080) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-N-methyl-6-phenoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-phenoxypyrimidine-2,4-diamine
PubChem CID80869080
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-N-methyl-6-phenoxypyrimidine-2,4-diamine
SMILESCNc1cc(Oc2ccccc2)nc(N)n1
InChIInChI=1S/C11H12N4O/c1-13-9-7-10(15-11(12)14-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H3,12,13,14,15)
InChIKeyQSEUPMJBKQHCBE-UHFFFAOYSA-N
XLogP1.89
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-phenoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-phenoxypyrimidine-2,4-diamine (CID 80869080) is 4-N-methyl-6-phenoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-phenoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-phenoxypyrimidine-2,4-diamine is CNc1cc(Oc2ccccc2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-phenoxypyrimidine-2,4-diamine?
The InChIKey is QSEUPMJBKQHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-13-9-7-10(15-11(12)14-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H3,12,13,14,15).
What are the key properties of 4-N-methyl-6-phenoxypyrimidine-2,4-diamine?
4-N-methyl-6-phenoxypyrimidine-2,4-diamine has a molecular weight of 216.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-phenoxypyrimidine-2,4-diamine is sourced from PubChem (CID 80869080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).