5-phenylmethoxypyrimidine-2,4-diamine

C11H12N4O — CID 516670

IUPAC5-phenylmethoxypyrimidine-2,4-diamine
SMILESNc1ncc(OCc2ccccc2)c(N)n1
InChIInChI=1S/C11H12N4O/c12-10-9(6-14-11(13)15-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)
InChIKeyQTGZSAGXWPWQQX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.22
Rot. Bonds3

About 5-phenylmethoxypyrimidine-2,4-diamine

5-phenylmethoxypyrimidine-2,4-diamine (PubChem CID 516670) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-phenylmethoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-phenylmethoxypyrimidine-2,4-diamine
PubChem CID516670
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-phenylmethoxypyrimidine-2,4-diamine
SMILESNc1ncc(OCc2ccccc2)c(N)n1
InChIInChI=1S/C11H12N4O/c12-10-9(6-14-11(13)15-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)
InChIKeyQTGZSAGXWPWQQX-UHFFFAOYSA-N
XLogP1.22
TPSA87.05 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxypyrimidine-2,4-diamine?
The IUPAC name of 5-phenylmethoxypyrimidine-2,4-diamine (CID 516670) is 5-phenylmethoxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-phenylmethoxypyrimidine-2,4-diamine?
The canonical SMILES for 5-phenylmethoxypyrimidine-2,4-diamine is Nc1ncc(OCc2ccccc2)c(N)n1.
What is the InChIKey of 5-phenylmethoxypyrimidine-2,4-diamine?
The InChIKey is QTGZSAGXWPWQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-10-9(6-14-11(13)15-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15).
What are the key properties of 5-phenylmethoxypyrimidine-2,4-diamine?
5-phenylmethoxypyrimidine-2,4-diamine has a molecular weight of 216.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxypyrimidine-2,4-diamine is sourced from PubChem (CID 516670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).