tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate

C16H26N2O2 — CID 162406465

IUPACtert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate
SMILESCc1ncc([C@@H](CC(C)(C)C)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H26N2O2/c1-11-17-9-12(10-18-11)13(8-15(2,3)4)14(19)20-16(5,6)7/h9-10,13H,8H2,1-7H3/t13-/m1/s1
InChIKeyDOOYTYJGRVCXTG-CYBMUJFWSA-N
MW278.40 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate

tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate (PubChem CID 162406465) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate.

Molecular Properties

Compound Nametert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate
PubChem CID162406465
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate
SMILESCc1ncc([C@@H](CC(C)(C)C)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H26N2O2/c1-11-17-9-12(10-18-11)13(8-15(2,3)4)14(19)20-16(5,6)7/h9-10,13H,8H2,1-7H3/t13-/m1/s1
InChIKeyDOOYTYJGRVCXTG-CYBMUJFWSA-N
XLogP3.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate?
The IUPAC name of tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate (CID 162406465) is tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate.
What is the SMILES notation for tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate?
The canonical SMILES for tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate is Cc1ncc([C@@H](CC(C)(C)C)C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate?
The InChIKey is DOOYTYJGRVCXTG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-17-9-12(10-18-11)13(8-15(2,3)4)14(19)20-16(5,6)7/h9-10,13H,8H2,1-7H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate?
tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate has a molecular weight of 278.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4,4-dimethyl-2-(2-methylpyrimidin-5-yl)pentanoate is sourced from PubChem (CID 162406465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).