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

C12H18N6O — CID 114785663

IUPAC2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCC2(C)CCCO2)c2[nH]cnc2n1
InChIInChI=1S/C12H18N6O/c1-12(4-3-5-19-12)6-14-9-8-10(16-7-15-8)18-11(13-2)17-9/h7H,3-6H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyXTYIAXHHTTZHBA-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.38
Rot. Bonds4

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

2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 114785663) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
PubChem CID114785663
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NCC2(C)CCCO2)c2[nH]cnc2n1
InChIInChI=1S/C12H18N6O/c1-12(4-3-5-19-12)6-14-9-8-10(16-7-15-8)18-11(13-2)17-9/h7H,3-6H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyXTYIAXHHTTZHBA-UHFFFAOYSA-N
XLogP1.38
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854676
2-N-methyl-6-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 106411991
2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
CID 114786408
2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785045
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781
2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854891
2-hydrazinyl-5-methyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928984
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
CID 114785002

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine (CID 114785663) is 2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine is CNc1nc(NCC2(C)CCCO2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is XTYIAXHHTTZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-12(4-3-5-19-12)6-14-9-8-10(16-7-15-8)18-11(13-2)17-9/h7H,3-6H2,1-2H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine?
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.38, 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-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).