2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide

C12H21N5O2 — CID 115356044

IUPAC2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide
SMILESCCOc1ncnc(NCC(=O)NC(C)(C)C)c1N
InChIInChI=1S/C12H21N5O2/c1-5-19-11-9(13)10(15-7-16-11)14-6-8(18)17-12(2,3)4/h7H,5-6,13H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyVFMRQKBHEULMTD-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.78
Rot. Bonds5

About 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide

2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide (PubChem CID 115356044) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide
PubChem CID115356044
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide
SMILESCCOc1ncnc(NCC(=O)NC(C)(C)C)c1N
InChIInChI=1S/C12H21N5O2/c1-5-19-11-9(13)10(15-7-16-11)14-6-8(18)17-12(2,3)4/h7H,5-6,13H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyVFMRQKBHEULMTD-UHFFFAOYSA-N
XLogP0.78
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide
CID 115357399
ethyl 4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]benzoate
CID 19146384
3-[2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114171712
N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 113293277
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
tert-butyl N-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethyl]carbamate
CID 104932898
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 102686608
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide (CID 115356044) is 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide is CCOc1ncnc(NCC(=O)NC(C)(C)C)c1N.
What is the InChIKey of 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide?
The InChIKey is VFMRQKBHEULMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-19-11-9(13)10(15-7-16-11)14-6-8(18)17-12(2,3)4/h7H,5-6,13H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide?
2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide has a molecular weight of 267.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 115356044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).