4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

C19H23N7O2S — CID 71233489

IUPAC4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1[nH]nc(Nc2ccnc(Nc3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1C
InChIInChI=1S/C19H23N7O2S/c1-13-14(2)24-25-18(13)22-17-8-9-20-19(23-17)21-15-6-5-7-16(12-15)29(27,28)26-10-3-4-11-26/h5-9,12H,3-4,10-11H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyINMYBRKAMUCTLZ-UHFFFAOYSA-N
MW413.51 g/mol
LogP3.09
Rot. Bonds6

About 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 71233489) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID71233489
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC Name4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1[nH]nc(Nc2ccnc(Nc3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1C
InChIInChI=1S/C19H23N7O2S/c1-13-14(2)24-25-18(13)22-17-8-9-20-19(23-17)21-15-6-5-7-16(12-15)29(27,28)26-10-3-4-11-26/h5-9,12H,3-4,10-11H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyINMYBRKAMUCTLZ-UHFFFAOYSA-N
XLogP3.09
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 53475873
2-[3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]sulfonylethanol
CID 53477229
N-[3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 71225292
4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 126962220
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(4-fluoro-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53475872
2-[3,4-dimethyl-5-[[2-(3-pyrrolidin-1-ylsulfonylanilino)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol;2,2,2-trifluoroacetic acid
CID 53476883
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
CID 53477344
4-N-(4-fluorophenyl)-2-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 141211169
2-[3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]sulfanyl-2-methylpropan-1-ol
CID 53477345
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53475763
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(5-methoxy-2-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71233362
4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53469647

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 71233489) is 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine is Cc1[nH]nc(Nc2ccnc(Nc3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1C.
What is the InChIKey of 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is INMYBRKAMUCTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-13-14(2)24-25-18(13)22-17-8-9-20-19(23-17)21-15-6-5-7-16(12-15)29(27,28)26-10-3-4-11-26/h5-9,12H,3-4,10-11H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?
4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 413.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71233489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).