[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol

C12H18N6O2 — CID 102939050

IUPAC[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
SMILESCNc1nc(N2CC(C)OC(CO)C2)c2[nH]cnc2n1
InChIInChI=1S/C12H18N6O2/c1-7-3-18(4-8(5-19)20-7)11-9-10(15-6-14-9)16-12(13-2)17-11/h6-8,19H,3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKSGLIKMZJWOFSP-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.02
Rot. Bonds3

About [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol

[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol (PubChem CID 102939050) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
PubChem CID102939050
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
SMILESCNc1nc(N2CC(C)OC(CO)C2)c2[nH]cnc2n1
InChIInChI=1S/C12H18N6O2/c1-7-3-18(4-8(5-19)20-7)11-9-10(15-6-14-9)16-12(13-2)17-11/h6-8,19H,3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKSGLIKMZJWOFSP-UHFFFAOYSA-N
XLogP-0.02
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[5-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
CID 114785743
2-[2-(methylamino)-7H-purin-6-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114786070
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136981221
3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939124
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
CID 114783973
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
CID 756697
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
CID 114785647
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
CID 114784987

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol (CID 102939050) is [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol is CNc1nc(N2CC(C)OC(CO)C2)c2[nH]cnc2n1.
What is the InChIKey of [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol?
The InChIKey is KSGLIKMZJWOFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-7-3-18(4-8(5-19)20-7)11-9-10(15-6-14-9)16-12(13-2)17-11/h6-8,19H,3-5H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol?
[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol has a molecular weight of 278.32 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 102939050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).