2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol

C11H19N3O — CID 62699368

IUPAC2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCc1ncccn1
InChIInChI=1S/C11H19N3O/c1-3-11(4-2,9-15)14-8-10-12-6-5-7-13-10/h5-7,14-15H,3-4,8-9H2,1-2H3
InChIKeyHEDVPDYPXSEJSP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.12
Rot. Bonds6

About 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol

2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol (PubChem CID 62699368) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol
PubChem CID62699368
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCc1ncccn1
InChIInChI=1S/C11H19N3O/c1-3-11(4-2,9-15)14-8-10-12-6-5-7-13-10/h5-7,14-15H,3-4,8-9H2,1-2H3
InChIKeyHEDVPDYPXSEJSP-UHFFFAOYSA-N
XLogP1.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol
CID 103529754
2-ethyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 62517107
2-ethyl-2-(pyrimidin-4-ylmethylamino)propane-1,3-diol
CID 107864870
2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
CID 115762417
2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine
CID 136517017
3-ethyl-N-(pyridin-2-ylmethyl)pentan-3-amine
CID 65039361
2-ethyl-2-(thieno[3,2-b]pyridin-6-ylmethylamino)butan-1-ol
CID 109396214
2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propane-1,3-diol
CID 107865257
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812
2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866027
2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62517659

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol (CID 62699368) is 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol is CCC(CC)(CO)NCc1ncccn1.
What is the InChIKey of 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol?
The InChIKey is HEDVPDYPXSEJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-11(4-2,9-15)14-8-10-12-6-5-7-13-10/h5-7,14-15H,3-4,8-9H2,1-2H3.
What are the key properties of 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol?
2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 62699368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).