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

C14H16N6O2 — CID 75466744

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(Cc1ccco1)C(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H16N6O2/c1-19(6-10-4-3-5-22-10)11(21)7-20(2)14-12-13(16-8-15-12)17-9-18-14/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17,18)
InChIKeyBDHKPAUSUWWYMK-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.04
Rot. Bonds5

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

N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 75466744) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID75466744
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(Cc1ccco1)C(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H16N6O2/c1-19(6-10-4-3-5-22-10)11(21)7-20(2)14-12-13(16-8-15-12)17-9-18-14/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17,18)
InChIKeyBDHKPAUSUWWYMK-UHFFFAOYSA-N
XLogP1.04
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479909
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94078715
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51089042
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
N-(furan-2-ylmethyl)-N-(7H-purin-6-yl)quinoline-8-sulfonamide
CID 74228199
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide
CID 119826160
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 75466744) is N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(Cc1ccco1)C(=O)CN(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is BDHKPAUSUWWYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-19(6-10-4-3-5-22-10)11(21)7-20(2)14-12-13(16-8-15-12)17-9-18-14/h3-5,8-9H,6-7H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 300.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 75466744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).