2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol

C11H19N3O — CID 103529754

IUPAC2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ncccn1
InChIInChI=1S/C11H19N3O/c1-10(2,11(3,4)15)14-8-9-12-6-5-7-13-9/h5-7,14-15H,8H2,1-4H3
InChIKeyYESJWEYILDARQR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.12
Rot. Bonds4

About 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol

2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol (PubChem CID 103529754) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol
PubChem CID103529754
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ncccn1
InChIInChI=1S/C11H19N3O/c1-10(2,11(3,4)15)14-8-9-12-6-5-7-13-9/h5-7,14-15H,8H2,1-4H3
InChIKeyYESJWEYILDARQR-UHFFFAOYSA-N
XLogP1.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol
CID 103993618
2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol
CID 103911941
3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
CID 103529899
2-ethyl-2-(pyrimidin-2-ylmethylamino)butan-1-ol
CID 62699368
2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol
CID 103993428
1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol
CID 106147433
3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911833
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
CID 106186625
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 113362922
3-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106190012
3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106185534

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol (CID 103529754) is 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol is CC(C)(O)C(C)(C)NCc1ncccn1.
What is the InChIKey of 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol?
The InChIKey is YESJWEYILDARQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,11(3,4)15)14-8-9-12-6-5-7-13-9/h5-7,14-15H,8H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol?
2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(pyrimidin-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 103529754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).