4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol

C10H17N3O — CID 66278456

IUPAC4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
SMILESCc1cnc(NCCC(C)O)c(N)c1
InChIInChI=1S/C10H17N3O/c1-7-5-9(11)10(13-6-7)12-4-3-8(2)14/h5-6,8,14H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyFRJJPPMWIDMMOC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.16
Rot. Bonds4

About 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol

4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol (PubChem CID 66278456) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
PubChem CID66278456
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
SMILESCc1cnc(NCCC(C)O)c(N)c1
InChIInChI=1S/C10H17N3O/c1-7-5-9(11)10(13-6-7)12-4-3-8(2)14/h5-6,8,14H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyFRJJPPMWIDMMOC-UHFFFAOYSA-N
XLogP1.16
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol (CID 66278456) is 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol is Cc1cnc(NCCC(C)O)c(N)c1.
What is the InChIKey of 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol?
The InChIKey is FRJJPPMWIDMMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-5-9(11)10(13-6-7)12-4-3-8(2)14/h5-6,8,14H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol?
4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol has a molecular weight of 195.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 66278456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).