6-(2-phenoxyphenyl)pyrimidine-2,4-diamine

C16H14N4O — CID 166389025

IUPAC6-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2ccccc2Oc2ccccc2)nc(N)n1
InChIInChI=1S/C16H14N4O/c17-15-10-13(19-16(18)20-15)12-8-4-5-9-14(12)21-11-6-2-1-3-7-11/h1-10H,(H4,17,18,19,20)
InChIKeyXKVVJVGKSZWRDB-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.10
Rot. Bonds3

About 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine

6-(2-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 166389025) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID166389025
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name6-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2ccccc2Oc2ccccc2)nc(N)n1
InChIInChI=1S/C16H14N4O/c17-15-10-13(19-16(18)20-15)12-8-4-5-9-14(12)21-11-6-2-1-3-7-11/h1-10H,(H4,17,18,19,20)
InChIKeyXKVVJVGKSZWRDB-UHFFFAOYSA-N
XLogP3.10
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenoxyphenyl)quinolin-4-amine
CID 175084364
6-(2-phenoxyphenyl)pyridin-3-amine
CID 68649369
2-chloro-4-(2-phenoxyphenyl)pyrimidine
CID 24901901
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
3-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole
CID 159805465
5-phenoxyquinazoline-2,4-diamine
CID 4308266
6-pyridin-3-ylpyrimidine-2,4-diamine
CID 90189944
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione
CID 142659308
6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 167923532

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine (CID 166389025) is 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine is Nc1cc(-c2ccccc2Oc2ccccc2)nc(N)n1.
What is the InChIKey of 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is XKVVJVGKSZWRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-15-10-13(19-16(18)20-15)12-8-4-5-9-14(12)21-11-6-2-1-3-7-11/h1-10H,(H4,17,18,19,20).
What are the key properties of 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
6-(2-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 278.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166389025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).