4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine

C11H10F2N4S — CID 80759668

IUPAC4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccccc2SC(F)F)ncn1
InChIInChI=1S/C11H10F2N4S/c12-11(13)18-8-4-2-1-3-7(8)17-10-5-9(14)15-6-16-10/h1-6,11H,(H3,14,15,16,17)
InChIKeyCWAZKERIWNXRGF-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.12
Rot. Bonds4

About 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine

4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 80759668) has the molecular formula C11H10F2N4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine
PubChem CID80759668
Molecular FormulaC11H10F2N4S
Molecular Weight268.29 g/mol
Exact Mass268.06
IUPAC Name4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccccc2SC(F)F)ncn1
InChIInChI=1S/C11H10F2N4S/c12-11(13)18-8-4-2-1-3-7(8)17-10-5-9(14)15-6-16-10/h1-6,11H,(H3,14,15,16,17)
InChIKeyCWAZKERIWNXRGF-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
4-N-[2-(difluoromethylsulfanyl)phenyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80759343
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
4-N-[2-(difluoromethylsulfanyl)phenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80748948
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80793758
4-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carbothioamide
CID 62926401
4-N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55011852
3-amino-4-[2-(difluoromethylsulfanyl)anilino]benzonitrile
CID 43518077
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine (CID 80759668) is 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine is Nc1cc(Nc2ccccc2SC(F)F)ncn1.
What is the InChIKey of 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is CWAZKERIWNXRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4S/c12-11(13)18-8-4-2-1-3-7(8)17-10-5-9(14)15-6-16-10/h1-6,11H,(H3,14,15,16,17).
What are the key properties of 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine?
4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 268.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80759668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).