N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C15H18N6O2 — CID 75479909

IUPACN-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCc1occc1CN(C)C(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C15H18N6O2/c1-10-11(4-5-23-10)6-20(2)12(22)7-21(3)15-13-14(17-8-16-13)18-9-19-15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17,18,19)
InChIKeyQTCYRVXURHULSP-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.35
Rot. Bonds5

About N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 75479909) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID75479909
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCc1occc1CN(C)C(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C15H18N6O2/c1-10-11(4-5-23-10)6-20(2)12(22)7-21(3)15-13-14(17-8-16-13)18-9-19-15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17,18,19)
InChIKeyQTCYRVXURHULSP-UHFFFAOYSA-N
XLogP1.35
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 75479909) is N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is Cc1occc1CN(C)C(=O)CN(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is QTCYRVXURHULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-10-11(4-5-23-10)6-20(2)12(22)7-21(3)15-13-14(17-8-16-13)18-9-19-15/h4-5,8-9H,6-7H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 75479909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).