5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

C19H17ClF2N4O2S — CID 156901420

IUPAC5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(F)cc(F)c2)ncc1Cl
InChIInChI=1S/C19H17ClF2N4O2S/c1-11(2)29(27,28)17-6-4-3-5-16(17)25-18-15(20)10-23-19(26-18)24-14-8-12(21)7-13(22)9-14/h3-11H,1-2H3,(H2,23,24,25,26)
InChIKeyGKEZNAOFHKYTHH-UHFFFAOYSA-N
MW438.89 g/mol
LogP5.08
Rot. Bonds6

About 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 156901420) has the molecular formula C19H17ClF2N4O2S and a molecular weight of 438.89 g/mol. Its IUPAC name is 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID156901420
Molecular FormulaC19H17ClF2N4O2S
Molecular Weight438.89 g/mol
Exact Mass438.07
IUPAC Name5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(F)cc(F)c2)ncc1Cl
InChIInChI=1S/C19H17ClF2N4O2S/c1-11(2)29(27,28)17-6-4-3-5-16(17)25-18-15(20)10-23-19(26-18)24-14-8-12(21)7-13(22)9-14/h3-11H,1-2H3,(H2,23,24,25,26)
InChIKeyGKEZNAOFHKYTHH-UHFFFAOYSA-N
XLogP5.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.89
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 156901420) is 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(F)cc(F)c2)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GKEZNAOFHKYTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O2S/c1-11(2)29(27,28)17-6-4-3-5-16(17)25-18-15(20)10-23-19(26-18)24-14-8-12(21)7-13(22)9-14/h3-11H,1-2H3,(H2,23,24,25,26).
What are the key properties of 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 438.89 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(3,5-difluorophenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 156901420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).