2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine

C20H20N4O — CID 10592691

IUPAC2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccco3)nc(N)c12
InChIInChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
InChIKeyATJYGASFPFEOJQ-CQSZACIVSA-N
MW332.41 g/mol
LogP4.50
Rot. Bonds3

About 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine

2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10592691) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10592691
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccco3)nc(N)c12
InChIInChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1
InChIKeyATJYGASFPFEOJQ-CQSZACIVSA-N
XLogP4.50
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 10592691) is 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccco3)nc(N)c12.
What is the InChIKey of 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ATJYGASFPFEOJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N4O/c1-12-13(2)24(14(3)15-8-5-4-6-9-15)20-17(12)18(21)22-19(23-20)16-10-7-11-25-16/h4-11,14H,1-3H3,(H2,21,22,23)/t14-/m1/s1.
What are the key properties of 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10592691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).