2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

C23H19FN4O — CID 112891339

IUPAC2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESFc1ccccc1CNc1nccc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H19FN4O/c24-19-11-5-4-8-17(19)16-26-23-25-15-14-22(28-23)27-20-12-6-7-13-21(20)29-18-9-2-1-3-10-18/h1-15H,16H2,(H2,25,26,27,28)
InChIKeyUYROZICDAVZBBO-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.76
Rot. Bonds7

About 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112891339) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112891339
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESFc1ccccc1CNc1nccc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H19FN4O/c24-19-11-5-4-8-17(19)16-26-23-25-15-14-22(28-23)27-20-12-6-7-13-21(20)29-18-9-2-1-3-10-18/h1-15H,16H2,(H2,25,26,27,28)
InChIKeyUYROZICDAVZBBO-UHFFFAOYSA-N
XLogP5.76
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891495
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883783
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112891171
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
4-N-[(2-fluorophenyl)methyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891181
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949798
2-N-(4-bromophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891168
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894629

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112891339) is 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is Fc1ccccc1CNc1nccc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is UYROZICDAVZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-19-11-5-4-8-17(19)16-26-23-25-15-14-22(28-23)27-20-12-6-7-13-21(20)29-18-9-2-1-3-10-18/h1-15H,16H2,(H2,25,26,27,28).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 386.43 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112891339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).