4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol

C12H21N3O2 — CID 114164015

IUPAC4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol
SMILESCOCCC(C)(O)CNCc1ccnc(C)n1
InChIInChI=1S/C12H21N3O2/c1-10-14-6-4-11(15-10)8-13-9-12(2,16)5-7-17-3/h4,6,13,16H,5,7-9H2,1-3H3
InChIKeyBILDGPJUOXUJFE-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.66
Rot. Bonds7

About 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol

4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol (PubChem CID 114164015) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol
PubChem CID114164015
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol
SMILESCOCCC(C)(O)CNCc1ccnc(C)n1
InChIInChI=1S/C12H21N3O2/c1-10-14-6-4-11(15-10)8-13-9-12(2,16)5-7-17-3/h4,6,13,16H,5,7-9H2,1-3H3
InChIKeyBILDGPJUOXUJFE-UHFFFAOYSA-N
XLogP0.66
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 106145720
6-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]pyridin-3-ol
CID 113384066
2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol
CID 81419018
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
2-[4-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]phenoxy]acetonitrile
CID 106249817
4-methoxy-2-methyl-1-[(3-methylpyrazin-2-yl)amino]butan-2-ol
CID 106253528
4,4,4-trifluoro-N-[(2-methylpyrimidin-4-yl)methyl]butan-1-amine
CID 115513579
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol
CID 103748411
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
CID 106253494

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol (CID 114164015) is 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol is COCCC(C)(O)CNCc1ccnc(C)n1.
What is the InChIKey of 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol?
The InChIKey is BILDGPJUOXUJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-14-6-4-11(15-10)8-13-9-12(2,16)5-7-17-3/h4,6,13,16H,5,7-9H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol?
4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol is sourced from PubChem (CID 114164015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).