2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol

C10H16N6O — CID 114785428

IUPAC2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
SMILESCNc1nc(NCC(C)CO)c2[nH]cnc2n1
InChIInChI=1S/C10H16N6O/c1-6(4-17)3-12-8-7-9(14-5-13-7)16-10(11-2)15-8/h5-6,17H,3-4H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyWWTYTVGCFQPCDE-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.43
Rot. Bonds5

About 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol

2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol (PubChem CID 114785428) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
PubChem CID114785428
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
SMILESCNc1nc(NCC(C)CO)c2[nH]cnc2n1
InChIInChI=1S/C10H16N6O/c1-6(4-17)3-12-8-7-9(14-5-13-7)16-10(11-2)15-8/h5-6,17H,3-4H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyWWTYTVGCFQPCDE-UHFFFAOYSA-N
XLogP0.43
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol with MolForge

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Related Compounds

3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
CID 114785289
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
CID 114785002
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol (CID 114785428) is 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol is CNc1nc(NCC(C)CO)c2[nH]cnc2n1.
What is the InChIKey of 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol?
The InChIKey is WWTYTVGCFQPCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-6(4-17)3-12-8-7-9(14-5-13-7)16-10(11-2)15-8/h5-6,17H,3-4H2,1-2H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol?
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol has a molecular weight of 236.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 114785428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).