[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol

C11H16N6O — CID 114785788

IUPAC[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
SMILESCNc1nc(NCC2(CO)CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c1-12-10-16-8(7-9(17-10)15-6-14-7)13-4-11(5-18)2-3-11/h6,18H,2-5H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyAVVUCTSDFQJNCJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.58
Rot. Bonds5

About [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol

[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 114785788) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
PubChem CID114785788
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
SMILESCNc1nc(NCC2(CO)CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c1-12-10-16-8(7-9(17-10)15-6-14-7)13-4-11(5-18)2-3-11/h6,18H,2-5H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyAVVUCTSDFQJNCJ-UHFFFAOYSA-N
XLogP0.58
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
[1-[(7H-purin-6-ylamino)methyl]cyclopentyl]methanol
CID 113294054
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
CID 114785002
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclopentyl]methanol
CID 114784996
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680
2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785676

Frequently Asked Questions

What is the IUPAC name of [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol (CID 114785788) is [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol is CNc1nc(NCC2(CO)CC2)c2[nH]cnc2n1.
What is the InChIKey of [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is AVVUCTSDFQJNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-12-10-16-8(7-9(17-10)15-6-14-7)13-4-11(5-18)2-3-11/h6,18H,2-5H2,1H3,(H3,12,13,14,15,16,17).
What are the key properties of [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol?
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 248.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 114785788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).