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

C19H27BrN6 — CID 19145827

IUPAC6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCC1(C)CC(Nc2ncnc(Nc3ccc(Br)cc3)c2N)CC(C)(C)N1
InChIInChI=1S/C19H27BrN6/c1-18(2)9-14(10-19(3,4)26-18)25-17-15(21)16(22-11-23-17)24-13-7-5-12(20)6-8-13/h5-8,11,14,26H,9-10,21H2,1-4H3,(H2,22,23,24,25)
InChIKeyXSKDAMOKAJIBTB-UHFFFAOYSA-N
MW419.37 g/mol
LogP4.29
Rot. Bonds4

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

6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine (PubChem CID 19145827) has the molecular formula C19H27BrN6 and a molecular weight of 419.37 g/mol. Its IUPAC name is 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
PubChem CID19145827
Molecular FormulaC19H27BrN6
Molecular Weight419.37 g/mol
Exact Mass418.15
IUPAC Name6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCC1(C)CC(Nc2ncnc(Nc3ccc(Br)cc3)c2N)CC(C)(C)N1
InChIInChI=1S/C19H27BrN6/c1-18(2)9-14(10-19(3,4)26-18)25-17-15(21)16(22-11-23-17)24-13-7-5-12(20)6-8-13/h5-8,11,14,26H,9-10,21H2,1-4H3,(H2,22,23,24,25)
InChIKeyXSKDAMOKAJIBTB-UHFFFAOYSA-N
XLogP4.29
TPSA87.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

1-[4-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 19145832
1-[3-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547435
dimethyl 5-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547635
6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145920
6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145913
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
4-N-(1-adamantyl)-6-N-(4-bromophenyl)pyrimidine-4,5,6-triamine
CID 19143464
6-N-(4-iodophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 22528376
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19145815
2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-2,3-diamine
CID 28818397
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19140121

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine (CID 19145827) is 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine is CC1(C)CC(Nc2ncnc(Nc3ccc(Br)cc3)c2N)CC(C)(C)N1.
What is the InChIKey of 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The InChIKey is XSKDAMOKAJIBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN6/c1-18(2)9-14(10-19(3,4)26-18)25-17-15(21)16(22-11-23-17)24-13-7-5-12(20)6-8-13/h5-8,11,14,26H,9-10,21H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine has a molecular weight of 419.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).