2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide

C14H25N5O — CID 80961691

IUPAC2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N5O/c1-6-16-12(20)9-19(7-2)11-8-10(15)17-13(18-11)14(3,4)5/h8H,6-7,9H2,1-5H3,(H,16,20)(H2,15,17,18)
InChIKeyNMNYIGIONJGLEQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.32
Rot. Bonds5

About 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide

2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide (PubChem CID 80961691) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
PubChem CID80961691
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N5O/c1-6-16-12(20)9-19(7-2)11-8-10(15)17-13(18-11)14(3,4)5/h8H,6-7,9H2,1-5H3,(H,16,20)(H2,15,17,18)
InChIKeyNMNYIGIONJGLEQ-UHFFFAOYSA-N
XLogP1.32
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80961589
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
N-ethyl-2-[ethyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80941432
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
N-ethyl-2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 137015619
2-tert-butyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80960082
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80961089
2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771829
5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 81439403
N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805066
2-[(6-aminopyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808495

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide (CID 80961691) is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is NMNYIGIONJGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-16-12(20)9-19(7-2)11-8-10(15)17-13(18-11)14(3,4)5/h8H,6-7,9H2,1-5H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 80961691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).