N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C16H20N6O2 — CID 94078715

IUPACN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESC[C@H](CCc1ccco1)NC(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H20N6O2/c1-11(5-6-12-4-3-7-24-12)21-13(23)8-22(2)16-14-15(18-9-17-14)19-10-20-16/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,23)(H,17,18,19,20)/t11-/m1/s1
InChIKeyOOIGYWVRSRUAEI-LLVKDONJSA-N
MW328.38 g/mol
LogP1.52
Rot. Bonds7

About N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 94078715) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID94078715
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESC[C@H](CCc1ccco1)NC(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H20N6O2/c1-11(5-6-12-4-3-7-24-12)21-13(23)8-22(2)16-14-15(18-9-17-14)19-10-20-16/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,23)(H,17,18,19,20)/t11-/m1/s1
InChIKeyOOIGYWVRSRUAEI-LLVKDONJSA-N
XLogP1.52
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75466744
2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 94078674
2-[methyl(7H-purin-6-yl)amino]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide
CID 52520731
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 97313739
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646151
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 94078715) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide is C[C@H](CCc1ccco1)NC(=O)CN(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is OOIGYWVRSRUAEI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11(5-6-12-4-3-7-24-12)21-13(23)8-22(2)16-14-15(18-9-17-14)19-10-20-16/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,21,23)(H,17,18,19,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 328.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 94078715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).