2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine

C11H16N6O — CID 114785045

IUPAC2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
SMILESCNc1nc(NCC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c1-12-11-16-9(8-10(17-11)15-6-14-8)13-4-7-2-3-18-5-7/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyOBGVGRSKLPPHPN-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.84
Rot. Bonds4

About 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine

2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine (PubChem CID 114785045) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
PubChem CID114785045
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
SMILESCNc1nc(NCC2CCOC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c1-12-11-16-9(8-10(17-11)15-6-14-8)13-4-7-2-3-18-5-7/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyOBGVGRSKLPPHPN-UHFFFAOYSA-N
XLogP0.84
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
CID 114787546
2-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784024
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
2-N-methyl-6-N-(thian-2-ylmethyl)-7H-purine-2,6-diamine
CID 114785710
N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine
CID 114787729
2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
CID 114785237
6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623942
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750459
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327381
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
5-chloro-4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974507

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine (CID 114785045) is 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine is CNc1nc(NCC2CCOC2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine?
The InChIKey is OBGVGRSKLPPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-12-11-16-9(8-10(17-11)15-6-14-8)13-4-7-2-3-18-5-7/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine?
2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine has a molecular weight of 248.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).