N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide

C19H28N6O3 — CID 25264705

IUPACN-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide
SMILESCCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H28N6O3/c1-2-14(26)24-12-8-13(17(28)16(12)27)25-10-22-15-18(20-9-21-19(15)25)23-11-6-4-3-5-7-11/h9-13,16-17,27-28H,2-8H2,1H3,(H,24,26)(H,20,21,23)/t12-,13+,16+,17-/m0/s1
InChIKeyZBGNXIYUBIOBGJ-IXKJSCDLSA-N
MW388.47 g/mol
LogP1.13
Rot. Bonds5

About N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide

N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide (PubChem CID 25264705) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide.

Molecular Properties

Compound NameN-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide
PubChem CID25264705
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC NameN-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide
SMILESCCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H28N6O3/c1-2-14(26)24-12-8-13(17(28)16(12)27)25-10-22-15-18(20-9-21-19(15)25)23-11-6-4-3-5-7-11/h9-13,16-17,27-28H,2-8H2,1H3,(H,24,26)(H,20,21,23)/t12-,13+,16+,17-/m0/s1
InChIKeyZBGNXIYUBIOBGJ-IXKJSCDLSA-N
XLogP1.13
TPSA125.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide 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 N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide?
The IUPAC name of N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide (CID 25264705) is N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide.
What is the SMILES notation for N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide?
The canonical SMILES for N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide is CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide?
The InChIKey is ZBGNXIYUBIOBGJ-IXKJSCDLSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-2-14(26)24-12-8-13(17(28)16(12)27)25-10-22-15-18(20-9-21-19(15)25)23-11-6-4-3-5-7-11/h9-13,16-17,27-28H,2-8H2,1H3,(H,24,26)(H,20,21,23)/t12-,13+,16+,17-/m0/s1.
What are the key properties of N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide?
N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide has a molecular weight of 388.47 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S,4R)-4-[6-(cyclohexylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide is sourced from PubChem (CID 25264705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).