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

C17H15FN4 — CID 112891132

IUPAC4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccccc1CNc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H15FN4/c18-15-9-5-4-6-13(15)12-20-16-10-11-19-17(22-16)21-14-7-2-1-3-8-14/h1-11H,12H2,(H2,19,20,21,22)
InChIKeyLRWVVOUMMHOHIO-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.97
Rot. Bonds5

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

4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112891132) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112891132
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccccc1CNc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H15FN4/c18-15-9-5-4-6-13(15)12-20-16-10-11-19-17(22-16)21-14-7-2-1-3-8-14/h1-11H,12H2,(H2,19,20,21,22)
InChIKeyLRWVVOUMMHOHIO-UHFFFAOYSA-N
XLogP3.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-bromophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891168
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112891171
4-N-[(2-fluorophenyl)methyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112891199
4-N-[(2-fluorophenyl)methyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891181
4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112891151
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112884943
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112891121
2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891339
4-N-[4-(diethylamino)phenyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891323

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine (CID 112891132) is 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine is Fc1ccccc1CNc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is LRWVVOUMMHOHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c18-15-9-5-4-6-13(15)12-20-16-10-11-19-17(22-16)21-14-7-2-1-3-8-14/h1-11H,12H2,(H2,19,20,21,22).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 294.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112891132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).