7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine

C19H18N6O2S — CID 118610753

IUPAC7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine
SMILESCN(Cc1ccccn1)c1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12
InChIInChI=1S/C19H18N6O2S/c1-25(11-13-7-5-6-10-21-13)19-16-15(22-12-23-19)17(18(20)24-16)28(26,27)14-8-3-2-4-9-14/h2-10,12,24H,11,20H2,1H3
InChIKeyOUFOWDUIRPIIBL-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.40
Rot. Bonds5

About 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine

7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine (PubChem CID 118610753) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine
PubChem CID118610753
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine
SMILESCN(Cc1ccccn1)c1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12
InChIInChI=1S/C19H18N6O2S/c1-25(11-13-7-5-6-10-21-13)19-16-15(22-12-23-19)17(18(20)24-16)28(26,27)14-8-3-2-4-9-14/h2-10,12,24H,11,20H2,1H3
InChIKeyOUFOWDUIRPIIBL-UHFFFAOYSA-N
XLogP2.40
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine?
The IUPAC name of 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine (CID 118610753) is 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine?
The canonical SMILES for 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine is CN(Cc1ccccn1)c1ncnc2c(S(=O)(=O)c3ccccc3)c(N)[nH]c12.
What is the InChIKey of 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine?
The InChIKey is OUFOWDUIRPIIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-25(11-13-7-5-6-10-21-13)19-16-15(22-12-23-19)17(18(20)24-16)28(26,27)14-8-3-2-4-9-14/h2-10,12,24H,11,20H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine?
7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine has a molecular weight of 394.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-N-methyl-4-N-(pyridin-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 118610753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).