5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol

C14H25N3O2 — CID 106119798

IUPAC5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol
SMILESCC(O)CCCNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(18)6-5-9-16-12-8-7-11(15)13(17-12)19-14(2,3)4/h7-8,10,18H,5-6,9,15H2,1-4H3,(H,16,17)
InChIKeyCATKCXODZOIABT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.41
Rot. Bonds6

About 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol

5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol (PubChem CID 106119798) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol
PubChem CID106119798
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol
SMILESCC(O)CCCNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(18)6-5-9-16-12-8-7-11(15)13(17-12)19-14(2,3)4/h7-8,10,18H,5-6,9,15H2,1-4H3,(H,16,17)
InChIKeyCATKCXODZOIABT-UHFFFAOYSA-N
XLogP2.41
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-amino-6-ethoxy-2-pyridinyl)amino]pentan-2-ol
CID 114146045
2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261799
2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 106007172
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 63982043
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 114150970
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol
CID 43498929
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 43567853
2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402670
5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154613
(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79248758

Frequently Asked Questions

What is the IUPAC name of 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol (CID 106119798) is 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol is CC(O)CCCNc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol?
The InChIKey is CATKCXODZOIABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(18)6-5-9-16-12-8-7-11(15)13(17-12)19-14(2,3)4/h7-8,10,18H,5-6,9,15H2,1-4H3,(H,16,17).
What are the key properties of 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol?
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 106119798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).