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

C18H19N5O3S — CID 118615467

IUPAC4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)[nH]c3c(C4=CCCCC4)ncnc23)cn1
InChIInChI=1S/C18H19N5O3S/c1-26-13-8-7-12(9-20-13)27(24,25)17-16-15(23-18(17)19)14(21-10-22-16)11-5-3-2-4-6-11/h5,7-10,23H,2-4,6,19H2,1H3
InChIKeyLAMSUKGCNYWQNB-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.73
Rot. Bonds4

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

4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 118615467) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID118615467
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)[nH]c3c(C4=CCCCC4)ncnc23)cn1
InChIInChI=1S/C18H19N5O3S/c1-26-13-8-7-12(9-20-13)27(24,25)17-16-15(23-18(17)19)14(21-10-22-16)11-5-3-2-4-6-11/h5,7-10,23H,2-4,6,19H2,1H3
InChIKeyLAMSUKGCNYWQNB-UHFFFAOYSA-N
XLogP2.73
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 118615467) is 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is COc1ccc(S(=O)(=O)c2c(N)[nH]c3c(C4=CCCCC4)ncnc23)cn1.
What is the InChIKey of 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is LAMSUKGCNYWQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-26-13-8-7-12(9-20-13)27(24,25)17-16-15(23-18(17)19)14(21-10-22-16)11-5-3-2-4-6-11/h5,7-10,23H,2-4,6,19H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 385.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-7-[(6-methoxy-3-pyridinyl)sulfonyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 118615467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).