6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine

C14H24N6 — CID 114783815

IUPAC6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(C)CC(C)CC)c2[nH]cnc2n1
InChIInChI=1S/C14H24N6/c1-5-7-15-14-18-12-11(16-9-17-12)13(19-14)20(4)8-10(3)6-2/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyQMWBCXCDQBXABP-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.66
Rot. Bonds7

About 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine

6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 114783815) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
PubChem CID114783815
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(C)CC(C)CC)c2[nH]cnc2n1
InChIInChI=1S/C14H24N6/c1-5-7-15-14-18-12-11(16-9-17-12)13(19-14)20(4)8-10(3)6-2/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyQMWBCXCDQBXABP-UHFFFAOYSA-N
XLogP2.66
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784714
2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide
CID 114784196
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine (CID 114783815) is 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(N(C)CC(C)CC)c2[nH]cnc2n1.
What is the InChIKey of 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is QMWBCXCDQBXABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-5-7-15-14-18-12-11(16-9-17-12)13(19-14)20(4)8-10(3)6-2/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine?
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 276.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).