[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol

C13H21N3O2 — CID 113286599

IUPAC[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(N)c(NCC2CCCC2CO)n1
InChIInChI=1S/C13H21N3O2/c1-18-12-6-5-11(14)13(16-12)15-7-9-3-2-4-10(9)8-17/h5-6,9-10,17H,2-4,7-8,14H2,1H3,(H,15,16)
InChIKeyUHGOFQQRQRGLHC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.49
Rot. Bonds5

About [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol

[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol (PubChem CID 113286599) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
PubChem CID113286599
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(N)c(NCC2CCCC2CO)n1
InChIInChI=1S/C13H21N3O2/c1-18-12-6-5-11(14)13(16-12)15-7-9-3-2-4-10(9)8-17/h5-6,9-10,17H,2-4,7-8,14H2,1H3,(H,15,16)
InChIKeyUHGOFQQRQRGLHC-UHFFFAOYSA-N
XLogP1.49
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol (CID 113286599) is [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol is COc1ccc(N)c(NCC2CCCC2CO)n1.
What is the InChIKey of [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is UHGOFQQRQRGLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-12-6-5-11(14)13(16-12)15-7-9-3-2-4-10(9)8-17/h5-6,9-10,17H,2-4,7-8,14H2,1H3,(H,15,16).
What are the key properties of [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 113286599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).