methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate

C15H25N3O2 — CID 71906631

IUPACmethyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate
SMILESCOC(=O)CN(CC(C)C)c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)9-18(10-13(19)20-6)12-7-8-16-14(17-12)15(3,4)5/h7-8,11H,9-10H2,1-6H3
InChIKeyPHZNXLDPIARCFJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.41
Rot. Bonds5

About methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate

methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate (PubChem CID 71906631) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate
PubChem CID71906631
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate
SMILESCOC(=O)CN(CC(C)C)c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)9-18(10-13(19)20-6)12-7-8-16-14(17-12)15(3,4)5/h7-8,11H,9-10H2,1-6H3
InChIKeyPHZNXLDPIARCFJ-UHFFFAOYSA-N
XLogP2.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate?
The IUPAC name of methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate (CID 71906631) is methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate is COC(=O)CN(CC(C)C)c1ccnc(C(C)(C)C)n1.
What is the InChIKey of methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate?
The InChIKey is PHZNXLDPIARCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)9-18(10-13(19)20-6)12-7-8-16-14(17-12)15(3,4)5/h7-8,11H,9-10H2,1-6H3.
What are the key properties of methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate?
methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate has a molecular weight of 279.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-tert-butylpyrimidin-4-yl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 71906631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).