5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C13H14ClFN4O2S — CID 134449941

IUPAC5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1ccc(F)cc1Nc1nc(N)ncc1Cl
InChIInChI=1S/C13H14ClFN4O2S/c1-7(2)22(20,21)11-4-3-8(15)5-10(11)18-12-9(14)6-17-13(16)19-12/h3-7H,1-2H3,(H3,16,17,18,19)
InChIKeyLARVODGHARIVGP-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.78
Rot. Bonds4

About 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 134449941) has the molecular formula C13H14ClFN4O2S and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID134449941
Molecular FormulaC13H14ClFN4O2S
Molecular Weight344.80 g/mol
Exact Mass344.05
IUPAC Name5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1ccc(F)cc1Nc1nc(N)ncc1Cl
InChIInChI=1S/C13H14ClFN4O2S/c1-7(2)22(20,21)11-4-3-8(15)5-10(11)18-12-9(14)6-17-13(16)19-12/h3-7H,1-2H3,(H3,16,17,18,19)
InChIKeyLARVODGHARIVGP-UHFFFAOYSA-N
XLogP2.78
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 134449941) is 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is CC(C)S(=O)(=O)c1ccc(F)cc1Nc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LARVODGHARIVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2S/c1-7(2)22(20,21)11-4-3-8(15)5-10(11)18-12-9(14)6-17-13(16)19-12/h3-7H,1-2H3,(H3,16,17,18,19).
What are the key properties of 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 344.80 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 134449941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).