2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol

C24H33BrN6O3 — CID 165027198

IUPAC2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1ncc(-c2cnc(C(C)(C)O)c(N)c2)cc1N.CC(C)(O)c1ncc(Br)cc1N
InChIInChI=1S/C16H22N4O2.C8H11BrN2O/c1-15(2,21)13-11(17)5-9(7-19-13)10-6-12(18)14(20-8-10)16(3,4)22;1-8(2,12)7-6(10)3-5(9)4-11-7/h5-8,21-22H,17-18H2,1-4H3;3-4,12H,10H2,1-2H3
InChIKeyMBSVBXCGLZQDTO-UHFFFAOYSA-N
MW533.47 g/mol
LogP3.42
Rot. Bonds4

About 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol

2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol (PubChem CID 165027198) has the molecular formula C24H33BrN6O3 and a molecular weight of 533.47 g/mol. Its IUPAC name is 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol
PubChem CID165027198
Molecular FormulaC24H33BrN6O3
Molecular Weight533.47 g/mol
Exact Mass532.18
IUPAC Name2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1ncc(-c2cnc(C(C)(C)O)c(N)c2)cc1N.CC(C)(O)c1ncc(Br)cc1N
InChIInChI=1S/C16H22N4O2.C8H11BrN2O/c1-15(2,21)13-11(17)5-9(7-19-13)10-6-12(18)14(20-8-10)16(3,4)22;1-8(2,12)7-6(10)3-5(9)4-11-7/h5-8,21-22H,17-18H2,1-4H3;3-4,12H,10H2,1-2H3
InChIKeyMBSVBXCGLZQDTO-UHFFFAOYSA-N
XLogP3.42
TPSA177.42 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.47
LogP ≤ 53.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol (CID 165027198) is 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol is CC(C)(O)c1ncc(-c2cnc(C(C)(C)O)c(N)c2)cc1N.CC(C)(O)c1ncc(Br)cc1N.
What is the InChIKey of 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol?
The InChIKey is MBSVBXCGLZQDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.C8H11BrN2O/c1-15(2,21)13-11(17)5-9(7-19-13)10-6-12(18)14(20-8-10)16(3,4)22;1-8(2,12)7-6(10)3-5(9)4-11-7/h5-8,21-22H,17-18H2,1-4H3;3-4,12H,10H2,1-2H3.
What are the key properties of 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol?
2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol has a molecular weight of 533.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-pyridinyl]propan-2-ol;2-(3-amino-5-bromo-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 165027198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).