3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol

C15H26N2O3 — CID 146163918

IUPAC3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCOc1ncc(C(O)(C(C)(C)C)C(C)(C)C)c(OC)n1
InChIInChI=1S/C15H26N2O3/c1-13(2,3)15(18,14(4,5)6)10-9-16-12(20-8)17-11(10)19-7/h9,18H,1-8H3
InChIKeyBYWBAWQXCGQEKQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.77
Rot. Bonds3

About 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol

3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 146163918) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol
PubChem CID146163918
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCOc1ncc(C(O)(C(C)(C)C)C(C)(C)C)c(OC)n1
InChIInChI=1S/C15H26N2O3/c1-13(2,3)15(18,14(4,5)6)10-9-16-12(20-8)17-11(10)19-7/h9,18H,1-8H3
InChIKeyBYWBAWQXCGQEKQ-UHFFFAOYSA-N
XLogP2.77
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,1,2,2,3,3,3-Heptafluoropropyl)-2,4-dimethoxypyrimidine
CID 23264522
5-(2,3-Difluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908096
5-(3-Fluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908431
2,4-Dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine
CID 165402885
3-(2,4-Dimethoxypyrimidin-5-yl)propan-1-ol
CID 124706387
Dimagnesium;5-(1-hydroxy-2,2-dimethylpropyl)pyrimidine-2,4-diolate;dichloride
CID 139215021
1-Butyl-4-(2,4-dimethoxypyrimidin-5-yl)piperidin-4-ol
CID 92421147
2,4-Dimethoxy-5-(1-methylpiperidin-4-yl)pyrimidine
CID 56653206
4-Methoxy-5-propyl-2-pyrimidinamine
CID 13301092
2,4-Dimethoxy-5-propylpyrimidine
CID 14135536
4,6-Dimethoxy-5-propylpyrimidine
CID 57010739
4-Methoxy-5-propylpyrimidine
CID 57057784

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol (CID 146163918) is 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol is COc1ncc(C(O)(C(C)(C)C)C(C)(C)C)c(OC)n1.
What is the InChIKey of 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is BYWBAWQXCGQEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-13(2,3)15(18,14(4,5)6)10-9-16-12(20-8)17-11(10)19-7/h9,18H,1-8H3.
What are the key properties of 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol?
3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 282.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxypyrimidin-5-yl)-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 146163918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).