2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide

C14H14ClN5O2 — CID 134480903

IUPAC2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccc2c(NCc3ccco3)nc(Cl)nc21
InChIInChI=1S/C14H14ClN5O2/c1-16-11(21)8-20-5-4-10-12(18-14(15)19-13(10)20)17-7-9-3-2-6-22-9/h2-6H,7-8H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyDWZUOYRDJQHLRZ-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.04
Rot. Bonds5

About 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide

2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide (PubChem CID 134480903) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
PubChem CID134480903
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccc2c(NCc3ccco3)nc(Cl)nc21
InChIInChI=1S/C14H14ClN5O2/c1-16-11(21)8-20-5-4-10-12(18-14(15)19-13(10)20)17-7-9-3-2-6-22-9/h2-6H,7-8H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyDWZUOYRDJQHLRZ-UHFFFAOYSA-N
XLogP2.04
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 134480566
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574719
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089
tert-butyl N-[2-[2-chloro-4-(furan-2-ylmethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]ethyl]-N-methylcarbamate
CID 154681113

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide?
The IUPAC name of 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide (CID 134480903) is 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide is CNC(=O)Cn1ccc2c(NCc3ccco3)nc(Cl)nc21.
What is the InChIKey of 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide?
The InChIKey is DWZUOYRDJQHLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c1-16-11(21)8-20-5-4-10-12(18-14(15)19-13(10)20)17-7-9-3-2-6-22-9/h2-6H,7-8H2,1H3,(H,16,21)(H,17,18,19).
What are the key properties of 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide?
2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide has a molecular weight of 319.75 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide is sourced from PubChem (CID 134480903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).