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

C16H11F3N4 — CID 954308

IUPAC5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H11F3N4/c17-10-1-5-12(6-2-10)21-15-14(19)9-20-16(23-15)22-13-7-3-11(18)4-8-13/h1-9H,(H2,20,21,22,23)
InChIKeyBTKZQEGTHZXVJD-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.38
Rot. Bonds4

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

5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 954308) has the molecular formula C16H11F3N4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID954308
Molecular FormulaC16H11F3N4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H11F3N4/c17-10-1-5-12(6-2-10)21-15-14(19)9-20-16(23-15)22-13-7-3-11(18)4-8-13/h1-9H,(H2,20,21,22,23)
InChIKeyBTKZQEGTHZXVJD-UHFFFAOYSA-N
XLogP4.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-fluoro-2-(4-fluoroanilino)pyrimidin-4-yl]amino]phenol
CID 90489150
5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
4-[[2-(4-carboxyanilino)-5-fluoropyrimidin-4-yl]amino]benzoic acid
CID 22060467
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763314
2-[4-[[2-[4-(carboxymethoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenoxy]acetic acid
CID 118729094
4-[[5-fluoro-2-(4-hydroxy-3-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 22060693
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
N-[3-[[5-fluoro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]phenyl]pyrazine-2-carboxamide
CID 127035030
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine (CID 954308) is 5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is BTKZQEGTHZXVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4/c17-10-1-5-12(6-2-10)21-15-14(19)9-20-16(23-15)22-13-7-3-11(18)4-8-13/h1-9H,(H2,20,21,22,23).
What are the key properties of 5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 316.29 g/mol, XLogP of 4.38, 4 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(4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 954308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).