3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide

C12H20BrN5O — CID 106280673

IUPAC3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCCNc1ncnc(NCC(C)(C)C(=O)NC)c1Br
InChIInChI=1S/C12H20BrN5O/c1-5-15-9-8(13)10(18-7-17-9)16-6-12(2,3)11(19)14-4/h7H,5-6H2,1-4H3,(H,14,19)(H2,15,16,17,18)
InChIKeyRLXUHPMCKPXRPY-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.86
Rot. Bonds6

About 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide

3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106280673) has the molecular formula C12H20BrN5O and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
PubChem CID106280673
Molecular FormulaC12H20BrN5O
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCCNc1ncnc(NCC(C)(C)C(=O)NC)c1Br
InChIInChI=1S/C12H20BrN5O/c1-5-15-9-8(13)10(18-7-17-9)16-6-12(2,3)11(19)14-4/h7H,5-6H2,1-4H3,(H,14,19)(H2,15,16,17,18)
InChIKeyRLXUHPMCKPXRPY-UHFFFAOYSA-N
XLogP1.86
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167793
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251
N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
CID 103823303
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280798
3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823311
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-2-ethylpropane-1,3-diol
CID 114072897
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
5-bromo-N,6-diethylpyrimidin-4-amine
CID 66298468

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide (CID 106280673) is 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide is CCNc1ncnc(NCC(C)(C)C(=O)NC)c1Br.
What is the InChIKey of 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is RLXUHPMCKPXRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O/c1-5-15-9-8(13)10(18-7-17-9)16-6-12(2,3)11(19)14-4/h7H,5-6H2,1-4H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 330.23 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).