2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol

C15H25N3O2 — CID 62524145

IUPAC2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C15H25N3O2/c1-3-15(4-2,10-19)18-13-8-7-12(16)14(17-13)20-9-11-5-6-11/h7-8,11,19H,3-6,9-10,16H2,1-2H3,(H,17,18)
InChIKeyVELYYBWSYVVMSS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.42
Rot. Bonds8

About 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol

2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol (PubChem CID 62524145) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol
PubChem CID62524145
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ccc(N)c(OCC2CC2)n1
InChIInChI=1S/C15H25N3O2/c1-3-15(4-2,10-19)18-13-8-7-12(16)14(17-13)20-9-11-5-6-11/h7-8,11,19H,3-6,9-10,16H2,1-2H3,(H,17,18)
InChIKeyVELYYBWSYVVMSS-UHFFFAOYSA-N
XLogP2.42
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.42
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-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol (CID 62524145) is 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1ccc(N)c(OCC2CC2)n1.
What is the InChIKey of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol?
The InChIKey is VELYYBWSYVVMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-15(4-2,10-19)18-13-8-7-12(16)14(17-13)20-9-11-5-6-11/h7-8,11,19H,3-6,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol?
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62524145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).