(2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide

C16H18N6O5 — CID 10067988

IUPAC(2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H18N6O5/c1-17-15(25)12-10(23)11(24)16(27-12)22-7-21-9-13(19-6-20-14(9)22)18-5-8-3-2-4-26-8/h2-4,6-7,10-12,16,23-24H,5H2,1H3,(H,17,25)(H,18,19,20)/t10-,11+,12-,16+/m0/s1
InChIKeyLPDCHGHGIIEPMA-MEQWQQMJSA-N
MW374.36 g/mol
LogP-0.60
Rot. Bonds5

About (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide

(2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide (PubChem CID 10067988) has the molecular formula C16H18N6O5 and a molecular weight of 374.36 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
PubChem CID10067988
Molecular FormulaC16H18N6O5
Molecular Weight374.36 g/mol
Exact Mass374.13
IUPAC Name(2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H18N6O5/c1-17-15(25)12-10(23)11(24)16(27-12)22-7-21-9-13(19-6-20-14(9)22)18-5-8-3-2-4-26-8/h2-4,6-7,10-12,16,23-24H,5H2,1H3,(H,17,25)(H,18,19,20)/t10-,11+,12-,16+/m0/s1
InChIKeyLPDCHGHGIIEPMA-MEQWQQMJSA-N
XLogP-0.60
TPSA147.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide 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 (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide (CID 10067988) is (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide is CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide?
The InChIKey is LPDCHGHGIIEPMA-MEQWQQMJSA-N. The full InChI is InChI=1S/C16H18N6O5/c1-17-15(25)12-10(23)11(24)16(27-12)22-7-21-9-13(19-6-20-14(9)22)18-5-8-3-2-4-26-8/h2-4,6-7,10-12,16,23-24H,5H2,1H3,(H,17,25)(H,18,19,20)/t10-,11+,12-,16+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide?
(2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide has a molecular weight of 374.36 g/mol, XLogP of -0.60, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 10067988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).