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

C13H23N3O2 — CID 79248203

IUPAC2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCC(C)Oc1nc(NC(CO)C(C)C)ccc1N
InChIInChI=1S/C13H23N3O2/c1-8(2)11(7-17)15-12-6-5-10(14)13(16-12)18-9(3)4/h5-6,8-9,11,17H,7,14H2,1-4H3,(H,15,16)
InChIKeyKWKSIWQEFPJZMH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.88
Rot. Bonds6

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

2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol (PubChem CID 79248203) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
PubChem CID79248203
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCC(C)Oc1nc(NC(CO)C(C)C)ccc1N
InChIInChI=1S/C13H23N3O2/c1-8(2)11(7-17)15-12-6-5-10(14)13(16-12)18-9(3)4/h5-6,8-9,11,17H,7,14H2,1-4H3,(H,15,16)
InChIKeyKWKSIWQEFPJZMH-UHFFFAOYSA-N
XLogP1.88
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol (CID 79248203) is 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol is CC(C)Oc1nc(NC(CO)C(C)C)ccc1N.
What is the InChIKey of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol?
The InChIKey is KWKSIWQEFPJZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)11(7-17)15-12-6-5-10(14)13(16-12)18-9(3)4/h5-6,8-9,11,17H,7,14H2,1-4H3,(H,15,16).
What are the key properties of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol?
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79248203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).