2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H14F4N4O3S — CID 71451848

IUPAC2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)c(S(C)(=O)=O)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C14H14F4N4O3S/c1-19-12-7(14(16,17)18)6-20-13(22-12)21-9-4-8(15)11(26(3,23)24)5-10(9)25-2/h4-6H,1-3H3,(H2,19,20,21,22)
InChIKeyRJNFWPNXSNQTBW-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.83
Rot. Bonds5

About 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 71451848) has the molecular formula C14H14F4N4O3S and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID71451848
Molecular FormulaC14H14F4N4O3S
Molecular Weight394.35 g/mol
Exact Mass394.07
IUPAC Name2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)c(S(C)(=O)=O)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C14H14F4N4O3S/c1-19-12-7(14(16,17)18)6-20-13(22-12)21-9-4-8(15)11(26(3,23)24)5-10(9)25-2/h4-6H,1-3H3,(H2,19,20,21,22)
InChIKeyRJNFWPNXSNQTBW-UHFFFAOYSA-N
XLogP2.83
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 71451848) is 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cc(F)c(S(C)(=O)=O)cc2OC)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RJNFWPNXSNQTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O3S/c1-19-12-7(14(16,17)18)6-20-13(22-12)21-9-4-8(15)11(26(3,23)24)5-10(9)25-2/h4-6H,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 394.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71451848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).