N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

C16H19BrN4 — CID 112868937

IUPACN-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2Br)cc(N2CCCCC2)n1
InChIInChI=1S/C16H19BrN4/c1-12-18-15(20-14-8-4-3-7-13(14)17)11-16(19-12)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyULPGPFDBXCGWBR-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.28
Rot. Bonds3

About N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112868937) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112868937
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC NameN-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2Br)cc(N2CCCCC2)n1
InChIInChI=1S/C16H19BrN4/c1-12-18-15(20-14-8-4-3-7-13(14)17)11-16(19-12)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyULPGPFDBXCGWBR-UHFFFAOYSA-N
XLogP4.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873893
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112868587
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868907
methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868921
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851
ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868961
6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867600
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
2-bromo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122326649

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112868937) is N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is Cc1nc(Nc2ccccc2Br)cc(N2CCCCC2)n1.
What is the InChIKey of N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ULPGPFDBXCGWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-12-18-15(20-14-8-4-3-7-13(14)17)11-16(19-12)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).