N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C19H23N7O2S — CID 67210638

IUPACN,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1cnc(Nc2ccc(S(=O)(=O)N(C)C)cc2)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C19H23N7O2S/c1-13-10-20-19(23-14-4-6-15(7-5-14)29(27,28)25(2)3)24-18(13)26-9-8-16-17(11-26)22-12-21-16/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)(H,20,23,24)
InChIKeyPETRLDNSKAJTGD-UHFFFAOYSA-N
MW413.51 g/mol
LogP2.06
Rot. Bonds5

About N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide

N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 67210638) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID67210638
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC NameN,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1cnc(Nc2ccc(S(=O)(=O)N(C)C)cc2)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C19H23N7O2S/c1-13-10-20-19(23-14-4-6-15(7-5-14)29(27,28)25(2)3)24-18(13)26-9-8-16-17(11-26)22-12-21-16/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)(H,20,23,24)
InChIKeyPETRLDNSKAJTGD-UHFFFAOYSA-N
XLogP2.06
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 67210638) is N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide is Cc1cnc(Nc2ccc(S(=O)(=O)N(C)C)cc2)nc1N1CCc2nc[nH]c2C1.
What is the InChIKey of N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is PETRLDNSKAJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-13-10-20-19(23-14-4-6-15(7-5-14)29(27,28)25(2)3)24-18(13)26-9-8-16-17(11-26)22-12-21-16/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)(H,20,23,24).
What are the key properties of N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 413.51 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67210638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).