6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine

C13H21BrN4 — CID 105419888

IUPAC6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(Br)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H21BrN4/c1-10-15-11(14)8-12(16-10)18(4)9-13(17(2)3)6-5-7-13/h8H,5-7,9H2,1-4H3
InChIKeyCXAWCDCUWRMQMI-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.47
Rot. Bonds4

About 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine

6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 105419888) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine
PubChem CID105419888
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(Br)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H21BrN4/c1-10-15-11(14)8-12(16-10)18(4)9-13(17(2)3)6-5-7-13/h8H,5-7,9H2,1-4H3
InChIKeyCXAWCDCUWRMQMI-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 105420925
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 105421058
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 105420998
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,5-dimethylpyridine-2,4-diamine
CID 105414019
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 105420936
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 105421075
4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine
CID 105416214
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 105420923
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107380992
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methylpyridin-2-amine
CID 105421047
4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 105415306

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine (CID 105419888) is 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine is Cc1nc(Br)cc(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is CXAWCDCUWRMQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-10-15-11(14)8-12(16-10)18(4)9-13(17(2)3)6-5-7-13/h8H,5-7,9H2,1-4H3.
What are the key properties of 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine?
6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 313.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 105419888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).