4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

C15H20BrN5 — CID 80778356

IUPAC4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)Cc2ccccc2Br)nc(N)n1
InChIInChI=1S/C15H20BrN5/c1-3-8-18-13-9-14(20-15(17)19-13)21(2)10-11-6-4-5-7-12(11)16/h4-7,9H,3,8,10H2,1-2H3,(H3,17,18,19,20)
InChIKeySHEDVBBRYSVVBV-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.28
Rot. Bonds6

About 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80778356) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80778356
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)Cc2ccccc2Br)nc(N)n1
InChIInChI=1S/C15H20BrN5/c1-3-8-18-13-9-14(20-15(17)19-13)21(2)10-11-6-4-5-7-12(11)16/h4-7,9H,3,8,10H2,1-2H3,(H3,17,18,19,20)
InChIKeySHEDVBBRYSVVBV-UHFFFAOYSA-N
XLogP3.28
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794398
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 80773723
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896379
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62292841
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (CID 80778356) is 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(N(C)Cc2ccccc2Br)nc(N)n1.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is SHEDVBBRYSVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-3-8-18-13-9-14(20-15(17)19-13)21(2)10-11-6-4-5-7-12(11)16/h4-7,9H,3,8,10H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 350.26 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80778356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).