2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide

C14H25N5O2 — CID 106241770

IUPAC2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
SMILESCNc1nc(C(C)(C)C)nc(NCCOCC(N)=O)c1C
InChIInChI=1S/C14H25N5O2/c1-9-11(16-5)18-13(14(2,3)4)19-12(9)17-6-7-21-8-10(15)20/h6-8H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyIOIGOYGTATWYBW-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.04
Rot. Bonds7

About 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide

2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide (PubChem CID 106241770) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
PubChem CID106241770
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
SMILESCNc1nc(C(C)(C)C)nc(NCCOCC(N)=O)c1C
InChIInChI=1S/C14H25N5O2/c1-9-11(16-5)18-13(14(2,3)4)19-12(9)17-6-7-21-8-10(15)20/h6-8H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyIOIGOYGTATWYBW-UHFFFAOYSA-N
XLogP1.04
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242015
2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80981514
2-[2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242021
2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82941053
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 81006283
2-[2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241829
2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80985152
2-tert-butyl-4-N-[2-(diethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981478
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
2-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
CID 106234320
2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825947
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
CID 80971178

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide (CID 106241770) is 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide is CNc1nc(C(C)(C)C)nc(NCCOCC(N)=O)c1C.
What is the InChIKey of 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide?
The InChIKey is IOIGOYGTATWYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-9-11(16-5)18-13(14(2,3)4)19-12(9)17-6-7-21-8-10(15)20/h6-8H2,1-5H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide?
2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide has a molecular weight of 295.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 106241770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).