4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C17H18N4O2 — CID 71171577

IUPAC4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc2c(c1)c(C1Cc3c(ncnc3OC)N1)cn2C
InChIInChI=1S/C17H18N4O2/c1-21-8-13(11-6-10(22-2)4-5-15(11)21)14-7-12-16(20-14)18-9-19-17(12)23-3/h4-6,8-9,14H,7H2,1-3H3,(H,18,19,20)
InChIKeyLITURTCYGQKZKO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.69
Rot. Bonds3

About 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 71171577) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID71171577
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc2c(c1)c(C1Cc3c(ncnc3OC)N1)cn2C
InChIInChI=1S/C17H18N4O2/c1-21-8-13(11-6-10(22-2)4-5-15(11)21)14-7-12-16(20-14)18-9-19-17(12)23-3/h4-6,8-9,14H,7H2,1-3H3,(H,18,19,20)
InChIKeyLITURTCYGQKZKO-UHFFFAOYSA-N
XLogP2.69
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CID 71171577) is 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is COc1ccc2c(c1)c(C1Cc3c(ncnc3OC)N1)cn2C.
What is the InChIKey of 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LITURTCYGQKZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-8-13(11-6-10(22-2)4-5-15(11)21)14-7-12-16(20-14)18-9-19-17(12)23-3/h4-6,8-9,14H,7H2,1-3H3,(H,18,19,20).
What are the key properties of 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 310.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 71171577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).