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

C17H15FN4 — CID 112891413

IUPAC4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccc(CNc2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H15FN4/c18-14-8-6-13(7-9-14)12-20-16-10-11-19-17(22-16)21-15-4-2-1-3-5-15/h1-11H,12H2,(H2,19,20,21,22)
InChIKeySLILDPTXEYYGMG-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.97
Rot. Bonds5

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

4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112891413) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112891413
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESFc1ccc(CNc2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H15FN4/c18-14-8-6-13(7-9-14)12-20-16-10-11-19-17(22-16)21-15-4-2-1-3-5-15/h1-11H,12H2,(H2,19,20,21,22)
InChIKeySLILDPTXEYYGMG-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

4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891495
N-[3-[[4-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112891467
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
2-N-tert-butyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891399
4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112891491
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
4-N-(3-bromophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891612
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
4-N-[(4-fluorophenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882681
2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891595
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891626

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine (CID 112891413) is 4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine is Fc1ccc(CNc2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is SLILDPTXEYYGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c18-14-8-6-13(7-9-14)12-20-16-10-11-19-17(22-16)21-15-4-2-1-3-5-15/h1-11H,12H2,(H2,19,20,21,22).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
4-N-[(4-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-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112891413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).