2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine

C19H19BrN4 — CID 112917161

IUPAC2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Br)c2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H19BrN4/c1-14-11-18(22-17-10-6-9-16(20)12-17)23-19(21-14)24(2)13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyWLXZCCDKDAKGMW-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.93
Rot. Bonds5

About 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112917161) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112917161
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Br)c2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C19H19BrN4/c1-14-11-18(22-17-10-6-9-16(20)12-17)23-19(21-14)24(2)13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyWLXZCCDKDAKGMW-UHFFFAOYSA-N
XLogP4.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917144
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
4-N-benzyl-6-N-(3-bromophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859531
2-N-benzyl-4-N-[2-(dimethylamino)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112912774
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
3-N-benzyl-5-N-(3-bromophenyl)-3-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112951809
3-[[2-[benzyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112936977
2-N-benzyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917093
N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910303
4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921635
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
2-N-(3-bromophenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928197

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 112917161) is 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Br)c2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is WLXZCCDKDAKGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-14-11-18(22-17-10-6-9-16(20)12-17)23-19(21-14)24(2)13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112917161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).