[4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol

C13H21N3O2 — CID 103182600

IUPAC[4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol
SMILESCc1cnc(CN2CCOCC2CO)c(C)c1N
InChIInChI=1S/C13H21N3O2/c1-9-5-15-12(10(2)13(9)14)6-16-3-4-18-8-11(16)7-17/h5,11,17H,3-4,6-8H2,1-2H3,(H2,14,15)
InChIKeyHQFCPWLMLVVVCD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.47
Rot. Bonds3

About [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol

[4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol (PubChem CID 103182600) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol
PubChem CID103182600
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol
SMILESCc1cnc(CN2CCOCC2CO)c(C)c1N
InChIInChI=1S/C13H21N3O2/c1-9-5-15-12(10(2)13(9)14)6-16-3-4-18-8-11(16)7-17/h5,11,17H,3-4,6-8H2,1-2H3,(H2,14,15)
InChIKeyHQFCPWLMLVVVCD-UHFFFAOYSA-N
XLogP0.47
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol (CID 103182600) is [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol is Cc1cnc(CN2CCOCC2CO)c(C)c1N.
What is the InChIKey of [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol?
The InChIKey is HQFCPWLMLVVVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-5-15-12(10(2)13(9)14)6-16-3-4-18-8-11(16)7-17/h5,11,17H,3-4,6-8H2,1-2H3,(H2,14,15).
What are the key properties of [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol?
[4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 103182600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).