5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine

C28H21FN4 — CID 66759549

IUPAC5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cccc(-c3ccccc3)c2)nc1Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H21FN4/c29-26-19-30-28(32-25-16-8-14-23(18-25)21-11-5-2-6-12-21)33-27(26)31-24-15-7-13-22(17-24)20-9-3-1-4-10-20/h1-19H,(H2,30,31,32,33)
InChIKeyYESRBRRTSPYQLP-UHFFFAOYSA-N
MW432.50 g/mol
LogP7.44
Rot. Bonds6

About 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine

5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine (PubChem CID 66759549) has the molecular formula C28H21FN4 and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
PubChem CID66759549
Molecular FormulaC28H21FN4
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC Name5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cccc(-c3ccccc3)c2)nc1Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H21FN4/c29-26-19-30-28(32-25-16-8-14-23(18-25)21-11-5-2-6-12-21)33-27(26)31-24-15-7-13-22(17-24)20-9-3-1-4-10-20/h1-19H,(H2,30,31,32,33)
InChIKeyYESRBRRTSPYQLP-UHFFFAOYSA-N
XLogP7.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
CID 86030537
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine
CID 162195368
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
3-[[5-fluoro-2-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]pyrimidin-4-yl]amino]phenol
CID 11634187
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 22060410
4-N-(3-aminophenyl)-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 163280558
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine (CID 66759549) is 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine is Fc1cnc(Nc2cccc(-c3ccccc3)c2)nc1Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine?
The InChIKey is YESRBRRTSPYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4/c29-26-19-30-28(32-25-16-8-14-23(18-25)21-11-5-2-6-12-21)33-27(26)31-24-15-7-13-22(17-24)20-9-3-1-4-10-20/h1-19H,(H2,30,31,32,33).
What are the key properties of 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine has a molecular weight of 432.50 g/mol, XLogP of 7.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66759549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).