6-phenylmethoxypyrimidine-2,4-diamine

C11H12N4O — CID 10130617

IUPAC6-phenylmethoxypyrimidine-2,4-diamine
SMILESNc1cc(OCc2ccccc2)nc(N)n1
InChIInChI=1S/C11H12N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)
InChIKeyMVIHQMTVQZOYCE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.22
Rot. Bonds3

About 6-phenylmethoxypyrimidine-2,4-diamine

6-phenylmethoxypyrimidine-2,4-diamine (PubChem CID 10130617) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-phenylmethoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-phenylmethoxypyrimidine-2,4-diamine
PubChem CID10130617
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name6-phenylmethoxypyrimidine-2,4-diamine
SMILESNc1cc(OCc2ccccc2)nc(N)n1
InChIInChI=1S/C11H12N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)
InChIKeyMVIHQMTVQZOYCE-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 6-phenylmethoxypyrimidine-2,4-diamine?
The IUPAC name of 6-phenylmethoxypyrimidine-2,4-diamine (CID 10130617) is 6-phenylmethoxypyrimidine-2,4-diamine.
What is the SMILES notation for 6-phenylmethoxypyrimidine-2,4-diamine?
The canonical SMILES for 6-phenylmethoxypyrimidine-2,4-diamine is Nc1cc(OCc2ccccc2)nc(N)n1.
What is the InChIKey of 6-phenylmethoxypyrimidine-2,4-diamine?
The InChIKey is MVIHQMTVQZOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15).
What are the key properties of 6-phenylmethoxypyrimidine-2,4-diamine?
6-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 6-phenylmethoxypyrimidine-2,4-diamine is sourced from PubChem (CID 10130617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).