2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol

C12H21N3O3 — CID 106184001

IUPAC2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)18-12-10(13)4-5-11(15-12)14-9(6-16)7-17-3/h4-5,8-9,16H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyGBWOBQAINXBIOG-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.87
Rot. Bonds7

About 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol

2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol (PubChem CID 106184001) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
PubChem CID106184001
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)18-12-10(13)4-5-11(15-12)14-9(6-16)7-17-3/h4-5,8-9,16H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyGBWOBQAINXBIOG-UHFFFAOYSA-N
XLogP0.87
TPSA89.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-phenylethanol
CID 63182610
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864556
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]acetic acid
CID 62253683
2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64630804
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930
2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113449896
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184124
3-methoxy-2-[(6-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106186402
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexan-1-ol
CID 43260966
3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113705

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol (CID 106184001) is 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol?
The InChIKey is GBWOBQAINXBIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)18-12-10(13)4-5-11(15-12)14-9(6-16)7-17-3/h4-5,8-9,16H,6-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol?
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106184001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).