1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol

C17H23N3O2 — CID 12991202

IUPAC1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCc1nc(Oc2ccccc2)c(N)c(NCC(C)(C)O)c1C
InChIInChI=1S/C17H23N3O2/c1-11-12(2)20-16(22-13-8-6-5-7-9-13)14(18)15(11)19-10-17(3,4)21/h5-9,21H,10,18H2,1-4H3,(H,19,20)
InChIKeyRSQQSHPMYSIMTC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.26
Rot. Bonds5

About 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol

1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol (PubChem CID 12991202) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
PubChem CID12991202
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCc1nc(Oc2ccccc2)c(N)c(NCC(C)(C)O)c1C
InChIInChI=1S/C17H23N3O2/c1-11-12(2)20-16(22-13-8-6-5-7-9-13)14(18)15(11)19-10-17(3,4)21/h5-9,21H,10,18H2,1-4H3,(H,19,20)
InChIKeyRSQQSHPMYSIMTC-UHFFFAOYSA-N
XLogP3.26
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 68312434
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CID 55058259
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CID 55058601
CID 55058601
CID 62296113
CID 62296113
CID 62296283
CID 62296283
CID 62296284
CID 62296284
CID 62296894
CID 62296894
CID 62297074
CID 62297074
CID 62297821
CID 62297821
CID 62297822
CID 62297822
CID 62298000
CID 62298000

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol (CID 12991202) is 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol is Cc1nc(Oc2ccccc2)c(N)c(NCC(C)(C)O)c1C.
What is the InChIKey of 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol?
The InChIKey is RSQQSHPMYSIMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-12(2)20-16(22-13-8-6-5-7-9-13)14(18)15(11)19-10-17(3,4)21/h5-9,21H,10,18H2,1-4H3,(H,19,20).
What are the key properties of 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol?
1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2,3-dimethyl-6-phenoxy-4-pyridinyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 12991202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).