N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine

C18H23BrN4 — CID 112876515

IUPACN-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C18H23BrN4/c1-3-16-9-4-5-10-23(16)18-12-17(20-13(2)21-18)22-15-8-6-7-14(19)11-15/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,21,22)
InChIKeyNCIPTVZGBBZRKT-UHFFFAOYSA-N
MW375.31 g/mol
LogP5.06
Rot. Bonds4

About N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine

N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 112876515) has the molecular formula C18H23BrN4 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
PubChem CID112876515
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC NameN-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C18H23BrN4/c1-3-16-9-4-5-10-23(16)18-12-17(20-13(2)21-18)22-15-8-6-7-14(19)11-15/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,21,22)
InChIKeyNCIPTVZGBBZRKT-UHFFFAOYSA-N
XLogP5.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876501
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044
2-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112876525
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
6-(2-ethylpiperidin-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112876497
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082
6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874201
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine (CID 112876515) is N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine is CCC1CCCCN1c1cc(Nc2cccc(Br)c2)nc(C)n1.
What is the InChIKey of N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is NCIPTVZGBBZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4/c1-3-16-9-4-5-10-23(16)18-12-17(20-13(2)21-18)22-15-8-6-7-14(19)11-15/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 375.31 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112876515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).