4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C19H20N4O3S — CID 118615699

IUPAC4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)[nH]c3c(C4=CCCCC4)ncnc23)cc1
InChIInChI=1S/C19H20N4O3S/c1-26-13-7-9-14(10-8-13)27(24,25)18-17-16(23-19(18)20)15(21-11-22-17)12-5-3-2-4-6-12/h5,7-11,23H,2-4,6,20H2,1H3
InChIKeySLJLDUBWZPCCEN-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.34
Rot. Bonds4

About 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine

4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118615699) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118615699
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)[nH]c3c(C4=CCCCC4)ncnc23)cc1
InChIInChI=1S/C19H20N4O3S/c1-26-13-7-9-14(10-8-13)27(24,25)18-17-16(23-19(18)20)15(21-11-22-17)12-5-3-2-4-6-12/h5,7-11,23H,2-4,6,20H2,1H3
InChIKeySLJLDUBWZPCCEN-UHFFFAOYSA-N
XLogP3.34
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118615699) is 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is COc1ccc(S(=O)(=O)c2c(N)[nH]c3c(C4=CCCCC4)ncnc23)cc1.
What is the InChIKey of 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is SLJLDUBWZPCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-26-13-7-9-14(10-8-13)27(24,25)18-17-16(23-19(18)20)15(21-11-22-17)12-5-3-2-4-6-12/h5,7-11,23H,2-4,6,20H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 384.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-7-(4-methoxyphenyl)sulfonyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118615699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).