2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol

C16H21N7O — CID 78073451

IUPAC2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(NCc2cccnc2)c2ncn(C)c2n1
InChIInChI=1S/C16H21N7O/c1-3-12(9-24)20-16-21-14(13-15(22-16)23(2)10-19-13)18-8-11-5-4-6-17-7-11/h4-7,10,12,24H,3,8-9H2,1-2H3,(H2,18,20,21,22)
InChIKeyOAEIXFAHSCLGRA-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.55
Rot. Bonds7

About 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol

2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol (PubChem CID 78073451) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol
PubChem CID78073451
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(NCc2cccnc2)c2ncn(C)c2n1
InChIInChI=1S/C16H21N7O/c1-3-12(9-24)20-16-21-14(13-15(22-16)23(2)10-19-13)18-8-11-5-4-6-17-7-11/h4-7,10,12,24H,3,8-9H2,1-2H3,(H2,18,20,21,22)
InChIKeyOAEIXFAHSCLGRA-UHFFFAOYSA-N
XLogP1.55
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 140906921
2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;ethane
CID 145002763
2-[[6-(benzhydrylamino)-9-methylpurin-2-yl]amino]butan-1-ol
CID 78076011
2-N-[(3R)-2-methylpentan-3-yl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 91472245
(3S,4S)-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718284
(2R)-2-[[6-(benzylamino)-9-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)purin-2-yl]amino]butan-1-ol
CID 171713810
(3R,4S)-2-methyl-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
CID 16718335
1-[[9-butan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]-2-methylpropan-2-ol;ethane
CID 142862962
4-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]benzene-1,2-diol
CID 10200164
(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol
CID 25053272
(2R)-2-[[9-propan-2-yl-6-[[4-(4-propan-2-yl-2-pyridinyl)phenyl]methylamino]purin-2-yl]amino]butan-1-ol
CID 166148629
(2R)-2-[[6-[(5-methylthiophen-2-yl)methylamino]-9-propylpurin-2-yl]amino]butan-1-ol
CID 71463101

Frequently Asked Questions

What is the IUPAC name of 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol (CID 78073451) is 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol is CCC(CO)Nc1nc(NCc2cccnc2)c2ncn(C)c2n1.
What is the InChIKey of 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol?
The InChIKey is OAEIXFAHSCLGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-3-12(9-24)20-16-21-14(13-15(22-16)23(2)10-19-13)18-8-11-5-4-6-17-7-11/h4-7,10,12,24H,3,8-9H2,1-2H3,(H2,18,20,21,22).
What are the key properties of 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol?
2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol has a molecular weight of 327.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-methyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 78073451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).