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

C18H20N4O3S — CID 118615496

IUPAC7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OC(C)C2CC2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C18H20N4O3S/c1-10(12-8-9-12)25-18-15-14(20-11(2)21-18)16(17(19)22-15)26(23,24)13-6-4-3-5-7-13/h3-7,10,12,22H,8-9,19H2,1-2H3
InChIKeyRVBNNQWBJHKAPQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.86
Rot. Bonds5

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

7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118615496) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118615496
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1nc(OC(C)C2CC2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C18H20N4O3S/c1-10(12-8-9-12)25-18-15-14(20-11(2)21-18)16(17(19)22-15)26(23,24)13-6-4-3-5-7-13/h3-7,10,12,22H,8-9,19H2,1-2H3
InChIKeyRVBNNQWBJHKAPQ-UHFFFAOYSA-N
XLogP2.86
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118615496) is 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1nc(OC(C)C2CC2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is RVBNNQWBJHKAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-10(12-8-9-12)25-18-15-14(20-11(2)21-18)16(17(19)22-15)26(23,24)13-6-4-3-5-7-13/h3-7,10,12,22H,8-9,19H2,1-2H3.
What are the key properties of 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 372.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-(1-cyclopropylethoxy)-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118615496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).