5-bromo-N,6-dimethylpyrimidin-4-amine

C6H8BrN3 — CID 56592979

IUPAC5-bromo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(C)c1Br
InChIInChI=1S/C6H8BrN3/c1-4-5(7)6(8-2)10-3-9-4/h3H,1-2H3,(H,8,9,10)
InChIKeyDMVIAHIYTRVWDM-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.59
Rot. Bonds1

About 5-bromo-N,6-dimethylpyrimidin-4-amine

5-bromo-N,6-dimethylpyrimidin-4-amine (PubChem CID 56592979) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 5-bromo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethylpyrimidin-4-amine
PubChem CID56592979
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name5-bromo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(C)c1Br
InChIInChI=1S/C6H8BrN3/c1-4-5(7)6(8-2)10-3-9-4/h3H,1-2H3,(H,8,9,10)
InChIKeyDMVIAHIYTRVWDM-UHFFFAOYSA-N
XLogP1.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine
CID 83843632
5-bromo-6-methylpyrimidin-4-amine
CID 604534
5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071876
5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 114072011
5-bromo-4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071867
5-bromo-4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114072420
4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149781
ethyl 3-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 114072172
5-bromo-6-(4-chloro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 114073252
6-chloro-5-iodo-N-methylpyrimidin-4-amine
CID 99983607
5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071836
4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 22540905

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dimethylpyrimidin-4-amine (CID 56592979) is 5-bromo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dimethylpyrimidin-4-amine is CNc1ncnc(C)c1Br.
What is the InChIKey of 5-bromo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is DMVIAHIYTRVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-4-5(7)6(8-2)10-3-9-4/h3H,1-2H3,(H,8,9,10).
What are the key properties of 5-bromo-N,6-dimethylpyrimidin-4-amine?
5-bromo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 202.06 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 56592979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).