6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

C15H20BrN7 — CID 19144039

IUPAC6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
SMILESCN1CCN(Nc2ncnc(Nc3ccccc3Br)c2N)CC1
InChIInChI=1S/C15H20BrN7/c1-22-6-8-23(9-7-22)21-15-13(17)14(18-10-19-15)20-12-5-3-2-4-11(12)16/h2-5,10H,6-9,17H2,1H3,(H2,18,19,20,21)
InChIKeyKBPIBCJOMHOQIC-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.14
Rot. Bonds4

About 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine (PubChem CID 19144039) has the molecular formula C15H20BrN7 and a molecular weight of 378.28 g/mol. Its IUPAC name is 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
PubChem CID19144039
Molecular FormulaC15H20BrN7
Molecular Weight378.28 g/mol
Exact Mass377.10
IUPAC Name6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
SMILESCN1CCN(Nc2ncnc(Nc3ccccc3Br)c2N)CC1
InChIInChI=1S/C15H20BrN7/c1-22-6-8-23(9-7-22)21-15-13(17)14(18-10-19-15)20-12-5-3-2-4-11(12)16/h2-5,10H,6-9,17H2,1H3,(H2,18,19,20,21)
InChIKeyKBPIBCJOMHOQIC-UHFFFAOYSA-N
XLogP2.14
TPSA82.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(4-methylpiperazin-1-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 19144015
6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19143129
6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144132
4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19144124
4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine
CID 80760482
4-N-(4-methylpiperazin-1-yl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19144115
6-N-(2-ethylphenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
CID 23482643
ethyl 4-[[5-amino-6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144025
6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144101
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138216
4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 23484186
6-N-(2-methoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148204

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine (CID 19144039) is 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine is CN1CCN(Nc2ncnc(Nc3ccccc3Br)c2N)CC1.
What is the InChIKey of 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The InChIKey is KBPIBCJOMHOQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN7/c1-22-6-8-23(9-7-22)21-15-13(17)14(18-10-19-15)20-12-5-3-2-4-11(12)16/h2-5,10H,6-9,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine has a molecular weight of 378.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromophenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).