4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine

C16H21BrN4 — CID 80942015

IUPAC4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-4-6-14-19-15(18-2)10-16(20-14)21(3)11-12-7-5-8-13(17)9-12/h5,7-10H,4,6,11H2,1-3H3,(H,18,19,20)
InChIKeyYWPJESPSOCGBNN-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.87
Rot. Bonds6

About 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine

4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80942015) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80942015
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-4-6-14-19-15(18-2)10-16(20-14)21(3)11-12-7-5-8-13(17)9-12/h5,7-10H,4,6,11H2,1-3H3,(H,18,19,20)
InChIKeyYWPJESPSOCGBNN-UHFFFAOYSA-N
XLogP3.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986668
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
[6-[(3-bromophenyl)methyl-methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266718
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80778161
N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80943087
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 105420923
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine (CID 80942015) is 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(N(C)Cc2cccc(Br)c2)n1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is YWPJESPSOCGBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-4-6-14-19-15(18-2)10-16(20-14)21(3)11-12-7-5-8-13(17)9-12/h5,7-10H,4,6,11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine?
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 349.28 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80942015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).