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

C16H21BrN4 — CID 80778161

IUPAC4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-4-8-18-16-19-12(2)9-15(20-16)21(3)11-13-6-5-7-14(17)10-13/h5-7,9-10H,4,8,11H2,1-3H3,(H,18,19,20)
InChIKeyURIXNHIJYQBJAF-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.01
Rot. Bonds6

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

4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80778161) 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-dimethyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80778161
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C16H21BrN4/c1-4-8-18-16-19-12(2)9-15(20-16)21(3)11-13-6-5-7-14(17)10-13/h5-7,9-10H,4,8,11H2,1-3H3,(H,18,19,20)
InChIKeyURIXNHIJYQBJAF-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80751646
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916911
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
CID 66449274
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80942015
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80780270
[6-[(3-bromophenyl)methyl-methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266718
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine (CID 80778161) is 4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(N(C)Cc2cccc(Br)c2)n1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is URIXNHIJYQBJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-4-8-18-16-19-12(2)9-15(20-16)21(3)11-13-6-5-7-14(17)10-13/h5-7,9-10H,4,8,11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.01, 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-dimethyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80778161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).