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

C18H17FN4S2 — CID 1284769

IUPAC5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCSc1cccc(Nc2ncc(F)c(Nc3cccc(SC)c3)n2)c1
InChIInChI=1S/C18H17FN4S2/c1-24-14-7-3-5-12(9-14)21-17-16(19)11-20-18(23-17)22-13-6-4-8-15(10-13)25-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyOVFSZDXVKFSRDT-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.55
Rot. Bonds6

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

5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 1284769) has the molecular formula C18H17FN4S2 and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID1284769
Molecular FormulaC18H17FN4S2
Molecular Weight372.49 g/mol
Exact Mass372.09
IUPAC Name5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCSc1cccc(Nc2ncc(F)c(Nc3cccc(SC)c3)n2)c1
InChIInChI=1S/C18H17FN4S2/c1-24-14-7-3-5-12(9-14)21-17-16(19)11-20-18(23-17)22-13-6-4-8-15(10-13)25-2/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyOVFSZDXVKFSRDT-UHFFFAOYSA-N
XLogP5.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 17311136
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549
5-chloro-2-N-ethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 80767890
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-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine
CID 162195368
5-bromo-2-N-(3-methylsulfanylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine
CID 58891355
5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 67156362
4-N-(3-aminophenyl)-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 163280558
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-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine (CID 1284769) is 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine is CSc1cccc(Nc2ncc(F)c(Nc3cccc(SC)c3)n2)c1.
What is the InChIKey of 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is OVFSZDXVKFSRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4S2/c1-24-14-7-3-5-12(9-14)21-17-16(19)11-20-18(23-17)22-13-6-4-8-15(10-13)25-2/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 372.49 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 1284769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).