N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide

C12H12N6O2 — CID 118310080

IUPACN-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C12H12N6O2/c1-7(19)16-12-17-10(9-11(18-12)15-6-14-9)13-5-8-3-2-4-20-8/h2-4,6H,5H2,1H3,(H3,13,14,15,16,17,18,19)
InChIKeyHSKCOMHJOLHDGU-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.52
Rot. Bonds4

About N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide

N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide (PubChem CID 118310080) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide
PubChem CID118310080
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC NameN-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C12H12N6O2/c1-7(19)16-12-17-10(9-11(18-12)15-6-14-9)13-5-8-3-2-4-20-8/h2-4,6H,5H2,1H3,(H3,13,14,15,16,17,18,19)
InChIKeyHSKCOMHJOLHDGU-UHFFFAOYSA-N
XLogP1.52
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
N-[4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112889223
2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
CID 154596531
2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 67759594
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888
2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785676
dimethyl (2S)-2-[[2-[(2-acetamido-7H-purin-6-yl)amino]acetyl]amino]pentanedioate
CID 127050461
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
N-[4-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112947465

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide (CID 118310080) is N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide is CC(=O)Nc1nc(NCc2ccco2)c2[nH]cnc2n1.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide?
The InChIKey is HSKCOMHJOLHDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-7(19)16-12-17-10(9-11(18-12)15-6-14-9)13-5-8-3-2-4-20-8/h2-4,6H,5H2,1H3,(H3,13,14,15,16,17,18,19).
What are the key properties of N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide?
N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide has a molecular weight of 272.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide is sourced from PubChem (CID 118310080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).