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

C12H19N3O2 — CID 43498896

IUPAC1-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol
SMILESCC(CNC1=NC(=C(C=C1)N)OCC2CC2)O
InChIInChI=1S/C12H19N3O2/c1-8(16)6-14-11-5-4-10(13)12(15-11)17-7-9-2-3-9/h4-5,8-9,16H,2-3,6-7,13H2,1H3,(H,14,15)
InChIKeyIKIOAXNZWKNHMX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds6

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

1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol (PubChem CID 43498896) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol
PubChem CID43498896
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol
SMILESCC(CNC1=NC(=C(C=C1)N)OCC2CC2)O
InChIInChI=1S/C12H19N3O2/c1-8(16)6-14-11-5-4-10(13)12(15-11)17-7-9-2-3-9/h4-5,8-9,16H,2-3,6-7,13H2,1H3,(H,14,15)
InChIKeyIKIOAXNZWKNHMX-UHFFFAOYSA-N
XLogP1.30
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity236

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol (CID 43498896) is 1-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol is CC(CNC1=NC(=C(C=C1)N)OCC2CC2)O.
What is the InChIKey of 1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is IKIOAXNZWKNHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(16)6-14-11-5-4-10(13)12(15-11)17-7-9-2-3-9/h4-5,8-9,16H,2-3,6-7,13H2,1H3,(H,14,15).
What are the key properties of 1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol?
1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-Amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 43498896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).