2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine

C11H16N6 — CID 114786287

IUPAC2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCC2CC2C)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6/c1-6-3-7(6)4-13-9-8-10(15-5-14-8)17-11(12-2)16-9/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyZYSVVIIBPAYKCU-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.46
Rot. Bonds4

About 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine

2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine (PubChem CID 114786287) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
PubChem CID114786287
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCC2CC2C)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6/c1-6-3-7(6)4-13-9-8-10(15-5-14-8)17-11(12-2)16-9/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyZYSVVIIBPAYKCU-UHFFFAOYSA-N
XLogP1.46
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784024
2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785045
2-N-methyl-6-N-(thian-2-ylmethyl)-7H-purine-2,6-diamine
CID 114785710
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239
2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
CID 114786408
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine (CID 114786287) is 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine is CNc1nc(NCC2CC2C)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine?
The InChIKey is ZYSVVIIBPAYKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-6-3-7(6)4-13-9-8-10(15-5-14-8)17-11(12-2)16-9/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine?
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114786287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).