2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine

C13H19Cl2N7O3S — CID 87079507

IUPAC2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine
SMILESCC(C)Oc1cc(Nc2nc(Cl)nc(N(C)S(=O)(=O)N(C)C)c2Cl)[nH]n1
InChIInChI=1S/C13H19Cl2N7O3S/c1-7(2)25-9-6-8(19-20-9)16-11-10(14)12(18-13(15)17-11)22(5)26(23,24)21(3)4/h6-7H,1-5H3,(H2,16,17,18,19,20)
InChIKeyBEXSZJPDTKYGJG-UHFFFAOYSA-N
MW424.31 g/mol
LogP2.28
Rot. Bonds7

About 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine

2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine (PubChem CID 87079507) has the molecular formula C13H19Cl2N7O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine
PubChem CID87079507
Molecular FormulaC13H19Cl2N7O3S
Molecular Weight424.31 g/mol
Exact Mass423.06
IUPAC Name2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine
SMILESCC(C)Oc1cc(Nc2nc(Cl)nc(N(C)S(=O)(=O)N(C)C)c2Cl)[nH]n1
InChIInChI=1S/C13H19Cl2N7O3S/c1-7(2)25-9-6-8(19-20-9)16-11-10(14)12(18-13(15)17-11)22(5)26(23,24)21(3)4/h6-7H,1-5H3,(H2,16,17,18,19,20)
InChIKeyBEXSZJPDTKYGJG-UHFFFAOYSA-N
XLogP2.28
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-N-(dimethylsulfamoyl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(3-methoxy-1H-pyrazol-5-yl)-4-N-methylpyrimidine-2,4,6-triamine
CID 66624258
5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine
CID 86620621
N-[[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-3-pyridinyl]methyl]methanesulfonamide
CID 67460428
2-[[5-chloro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyrimidin-4-yl]amino]propane-1,3-diol
CID 11978342
N-[[5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-3-pyridinyl]methyl]methanesulfonamide
CID 67461688
5-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 66623875
3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
CID 175767533
2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-nitro-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 69150423
5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 68875937
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine
CID 68937421
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 24776024
6-propan-2-yloxypyridine-2-sulfonyl chloride
CID 117167945

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine (CID 87079507) is 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine is CC(C)Oc1cc(Nc2nc(Cl)nc(N(C)S(=O)(=O)N(C)C)c2Cl)[nH]n1.
What is the InChIKey of 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine?
The InChIKey is BEXSZJPDTKYGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N7O3S/c1-7(2)25-9-6-8(19-20-9)16-11-10(14)12(18-13(15)17-11)22(5)26(23,24)21(3)4/h6-7H,1-5H3,(H2,16,17,18,19,20).
What are the key properties of 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine?
2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine has a molecular weight of 424.31 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 87079507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).