3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C10H16BrN5O — CID 114167793

IUPAC3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncnc(N)c1Br
InChIInChI=1S/C10H16BrN5O/c1-10(2,9(17)13-3)4-14-8-6(11)7(12)15-5-16-8/h5H,4H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyFVQRBBHTEAYUSW-UHFFFAOYSA-N
MW302.18 g/mol
LogP1.01
Rot. Bonds4

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

3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 114167793) has the molecular formula C10H16BrN5O and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID114167793
Molecular FormulaC10H16BrN5O
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ncnc(N)c1Br
InChIInChI=1S/C10H16BrN5O/c1-10(2,9(17)13-3)4-14-8-6(11)7(12)15-5-16-8/h5H,4H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyFVQRBBHTEAYUSW-UHFFFAOYSA-N
XLogP1.01
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280798
5-bromo-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 114072524
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
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-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843233
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275327
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167772
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 114167793) is 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ncnc(N)c1Br.
What is the InChIKey of 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is FVQRBBHTEAYUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O/c1-10(2,9(17)13-3)4-14-8-6(11)7(12)15-5-16-8/h5H,4H2,1-3H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 302.18 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 114167793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).