2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide

C12H20BrN5O — CID 80805068

IUPAC2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(NCC)ncc1Br
InChIInChI=1S/C12H20BrN5O/c1-4-14-10(19)8-18(6-3)11-9(13)7-16-12(17-11)15-5-2/h7H,4-6,8H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyKWALDCGMZAJPIZ-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.63
Rot. Bonds7

About 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide

2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide (PubChem CID 80805068) has the molecular formula C12H20BrN5O and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
PubChem CID80805068
Molecular FormulaC12H20BrN5O
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(NCC)ncc1Br
InChIInChI=1S/C12H20BrN5O/c1-4-14-10(19)8-18(6-3)11-9(13)7-16-12(17-11)15-5-2/h7H,4-6,8H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyKWALDCGMZAJPIZ-UHFFFAOYSA-N
XLogP1.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80808680
5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871827
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799994
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79633316
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79072774
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 80806443
5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80774882
2-[(5-bromo-3-nitro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 54985802

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide (CID 80805068) is 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nc(NCC)ncc1Br.
What is the InChIKey of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide?
The InChIKey is KWALDCGMZAJPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O/c1-4-14-10(19)8-18(6-3)11-9(13)7-16-12(17-11)15-5-2/h7H,4-6,8H2,1-3H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide?
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide has a molecular weight of 330.23 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 80805068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).