3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide

C12H20BrN5O — CID 106280482

IUPAC3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCCNc1ncnc(NCC(C)(C)C(N)=O)c1Br
InChIInChI=1S/C12H20BrN5O/c1-4-5-15-9-8(13)10(18-7-17-9)16-6-12(2,3)11(14)19/h7H,4-6H2,1-3H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyUZZABRZTRPUMFH-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.98
Rot. Bonds7

About 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide

3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 106280482) has the molecular formula C12H20BrN5O and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID106280482
Molecular FormulaC12H20BrN5O
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCCCNc1ncnc(NCC(C)(C)C(N)=O)c1Br
InChIInChI=1S/C12H20BrN5O/c1-4-5-15-9-8(13)10(18-7-17-9)16-6-12(2,3)11(14)19/h7H,4-6H2,1-3H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyUZZABRZTRPUMFH-UHFFFAOYSA-N
XLogP1.98
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280543
5-bromo-4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072758
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167772
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106280601
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167793
2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80819527
ethyl 3-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 114072172

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide (CID 106280482) is 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide is CCCNc1ncnc(NCC(C)(C)C(N)=O)c1Br.
What is the InChIKey of 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is UZZABRZTRPUMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O/c1-4-5-15-9-8(13)10(18-7-17-9)16-6-12(2,3)11(14)19/h7H,4-6H2,1-3H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide?
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 330.23 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).