2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide

C18H16N6O2 — CID 10291405

IUPAC2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide
SMILESC[C@H](NC(=O)n1cnc2c(-c3ccco3)nc(N)nc21)c1ccccc1
InChIInChI=1S/C18H16N6O2/c1-11(12-6-3-2-4-7-12)21-18(25)24-10-20-15-14(13-8-5-9-26-13)22-17(19)23-16(15)24/h2-11H,1H3,(H,21,25)(H2,19,22,23)/t11-/m0/s1
InChIKeyNNZNWPJLQJFDKS-NSHDSACASA-N
MW348.37 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide

2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide (PubChem CID 10291405) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide
PubChem CID10291405
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide
SMILESC[C@H](NC(=O)n1cnc2c(-c3ccco3)nc(N)nc21)c1ccccc1
InChIInChI=1S/C18H16N6O2/c1-11(12-6-3-2-4-7-12)21-18(25)24-10-20-15-14(13-8-5-9-26-13)22-17(19)23-16(15)24/h2-11H,1H3,(H,21,25)(H2,19,22,23)/t11-/m0/s1
InChIKeyNNZNWPJLQJFDKS-NSHDSACASA-N
XLogP2.99
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide?
The IUPAC name of 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide (CID 10291405) is 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide?
The canonical SMILES for 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide is C[C@H](NC(=O)n1cnc2c(-c3ccco3)nc(N)nc21)c1ccccc1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide?
The InChIKey is NNZNWPJLQJFDKS-NSHDSACASA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11(12-6-3-2-4-7-12)21-18(25)24-10-20-15-14(13-8-5-9-26-13)22-17(19)23-16(15)24/h2-11H,1H3,(H,21,25)(H2,19,22,23)/t11-/m0/s1.
What are the key properties of 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide?
2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-N-[(1S)-1-phenylethyl]purine-9-carboxamide is sourced from PubChem (CID 10291405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).