N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide

C12H20N4O2 — CID 112638339

IUPACN-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide
SMILESCCOc1ccnc(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-5-18-10-6-7-13-11(15-10)14-8-9(17)16-12(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyYNEDRTCPTQEORV-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.20
Rot. Bonds5

About N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide

N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide (PubChem CID 112638339) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide
PubChem CID112638339
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide
SMILESCCOc1ccnc(NCC(=O)NC(C)(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-5-18-10-6-7-13-11(15-10)14-8-9(17)16-12(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyYNEDRTCPTQEORV-UHFFFAOYSA-N
XLogP1.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 115978168
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 112637987
1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 112637981
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116
N-tert-butyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]acetamide
CID 115357503
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
N-ethyl-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636787
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide (CID 112638339) is N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide is CCOc1ccnc(NCC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide?
The InChIKey is YNEDRTCPTQEORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-18-10-6-7-13-11(15-10)14-8-9(17)16-12(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,17)(H,13,14,15).
What are the key properties of N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide?
N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide has a molecular weight of 252.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 112638339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).