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

C11H19N3O — CID 115644029

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
SMILESCc1cc(C)nc(NC(C)C(C)CO)n1
InChIInChI=1S/C11H19N3O/c1-7(6-15)10(4)14-11-12-8(2)5-9(3)13-11/h5,7,10,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyUGGVAJAGRDGXCK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.52
Rot. Bonds4

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

3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol (PubChem CID 115644029) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
PubChem CID115644029
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
SMILESCc1cc(C)nc(NC(C)C(C)CO)n1
InChIInChI=1S/C11H19N3O/c1-7(6-15)10(4)14-11-12-8(2)5-9(3)13-11/h5,7,10,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyUGGVAJAGRDGXCK-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol
CID 115644022
2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
CID 63732356
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311
4,6-dimethyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 43518888
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 114982569
N-(3,3-dimethylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 115774227
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol (CID 115644029) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol is Cc1cc(C)nc(NC(C)C(C)CO)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The InChIKey is UGGVAJAGRDGXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(6-15)10(4)14-11-12-8(2)5-9(3)13-11/h5,7,10,15H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 115644029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).