4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine

C18H15N3O2 — CID 52943875

IUPAC4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cn2ccc3c(-c4ccco4)ncnc32)cc1
InChIInChI=1S/C18H15N3O2/c1-22-14-6-4-13(5-7-14)11-21-9-8-15-17(16-3-2-10-23-16)19-12-20-18(15)21/h2-10,12H,11H2,1H3
InChIKeyFBVUOZWUDYOYSF-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.75
Rot. Bonds4

About 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine

4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 52943875) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
PubChem CID52943875
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cn2ccc3c(-c4ccco4)ncnc32)cc1
InChIInChI=1S/C18H15N3O2/c1-22-14-6-4-13(5-7-14)11-21-9-8-15-17(16-3-2-10-23-16)19-12-20-18(15)21/h2-10,12H,11H2,1H3
InChIKeyFBVUOZWUDYOYSF-UHFFFAOYSA-N
XLogP3.75
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Las-38096
CID 11716665
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
Triazolopyridazine, 10n
CID 24865176
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
Roscovitine derivative 1
CID 73353575
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine (CID 52943875) is 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine is COc1ccc(Cn2ccc3c(-c4ccco4)ncnc32)cc1.
What is the InChIKey of 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is FBVUOZWUDYOYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-22-14-6-4-13(5-7-14)11-21-9-8-15-17(16-3-2-10-23-16)19-12-20-18(15)21/h2-10,12H,11H2,1H3.
What are the key properties of 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine?
4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 305.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 52943875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).