2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol

C11H19N3O3 — CID 113292972

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCOc1cc(OC)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-7(2)8(6-15)12-11-13-9(16-3)5-10(14-11)17-4/h5,7-8,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyPGDKJEDOJJXBRV-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.92
Rot. Bonds6

About 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol

2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 113292972) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID113292972
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCOc1cc(OC)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-7(2)8(6-15)12-11-13-9(16-3)5-10(14-11)17-4/h5,7-8,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyPGDKJEDOJJXBRV-UHFFFAOYSA-N
XLogP0.92
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 114982569
(2S)-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80923491
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 122049707
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
N-(4-chlorobutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
CID 83186652
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoro-4-hydroxy-2-methylbutanamide
CID 57157482
2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-3-methylbutan-1-ol
CID 171989257
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177062

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol (CID 113292972) is 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol is COc1cc(OC)nc(NC(CO)C(C)C)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is PGDKJEDOJJXBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)8(6-15)12-11-13-9(16-3)5-10(14-11)17-4/h5,7-8,15H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol?
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 241.29 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 113292972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).