7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C17H15N5O3S2 — CID 129187123

IUPAC7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1csc(COc2ncnc3c(S(=O)(=O)c4ccccc4)c(N)[nH]c23)n1
InChIInChI=1S/C17H15N5O3S2/c1-10-8-26-12(21-10)7-25-17-14-13(19-9-20-17)15(16(18)22-14)27(23,24)11-5-3-2-4-6-11/h2-6,8-9,22H,7,18H2,1H3
InChIKeyNJXVYLGMLRFHQJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.72
Rot. Bonds5

About 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine

7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 129187123) has the molecular formula C17H15N5O3S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID129187123
Molecular FormulaC17H15N5O3S2
Molecular Weight401.47 g/mol
Exact Mass401.06
IUPAC Name7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1csc(COc2ncnc3c(S(=O)(=O)c4ccccc4)c(N)[nH]c23)n1
InChIInChI=1S/C17H15N5O3S2/c1-10-8-26-12(21-10)7-25-17-14-13(19-9-20-17)15(16(18)22-14)27(23,24)11-5-3-2-4-6-11/h2-6,8-9,22H,7,18H2,1H3
InChIKeyNJXVYLGMLRFHQJ-UHFFFAOYSA-N
XLogP2.72
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 129187123) is 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1csc(COc2ncnc3c(S(=O)(=O)c4ccccc4)c(N)[nH]c23)n1.
What is the InChIKey of 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is NJXVYLGMLRFHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S2/c1-10-8-26-12(21-10)7-25-17-14-13(19-9-20-17)15(16(18)22-14)27(23,24)11-5-3-2-4-6-11/h2-6,8-9,22H,7,18H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 401.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 129187123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).