3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide

C11H17N7O — CID 106347511

IUPAC3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide
SMILESCNc1nc(NC(C(N)=O)C(C)C)c2[nH]cnc2n1
InChIInChI=1S/C11H17N7O/c1-5(2)6(8(12)19)16-10-7-9(15-4-14-7)17-11(13-3)18-10/h4-6H,1-3H3,(H2,12,19)(H3,13,14,15,16,17,18)
InChIKeyBBUXHSVHXNKBLX-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.32
Rot. Bonds5

About 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide

3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide (PubChem CID 106347511) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide
PubChem CID106347511
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide
SMILESCNc1nc(NC(C(N)=O)C(C)C)c2[nH]cnc2n1
InChIInChI=1S/C11H17N7O/c1-5(2)6(8(12)19)16-10-7-9(15-4-14-7)17-11(13-3)18-10/h4-6H,1-3H3,(H2,12,19)(H3,13,14,15,16,17,18)
InChIKeyBBUXHSVHXNKBLX-UHFFFAOYSA-N
XLogP0.32
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide?
The IUPAC name of 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide (CID 106347511) is 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide.
What is the SMILES notation for 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide?
The canonical SMILES for 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide is CNc1nc(NC(C(N)=O)C(C)C)c2[nH]cnc2n1.
What is the InChIKey of 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide?
The InChIKey is BBUXHSVHXNKBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-5(2)6(8(12)19)16-10-7-9(15-4-14-7)17-11(13-3)18-10/h4-6H,1-3H3,(H2,12,19)(H3,13,14,15,16,17,18).
What are the key properties of 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide?
3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide has a molecular weight of 263.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide is sourced from PubChem (CID 106347511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).