N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine

C18H23BrN4 — CID 171998484

IUPACN-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCCN(Cc3ccccc3Br)C2)n1
InChIInChI=1S/C18H23BrN4/c1-14-9-10-20-18(21-14)22(2)16-7-5-11-23(13-16)12-15-6-3-4-8-17(15)19/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3
InChIKeyGNWNOEMDGZBJLO-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.65
Rot. Bonds4

About N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine

N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 171998484) has the molecular formula C18H23BrN4 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
PubChem CID171998484
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC NameN-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCCN(Cc3ccccc3Br)C2)n1
InChIInChI=1S/C18H23BrN4/c1-14-9-10-20-18(21-14)22(2)16-7-5-11-23(13-16)12-15-6-3-4-8-17(15)19/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3
InChIKeyGNWNOEMDGZBJLO-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 171998805
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998410
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998822
N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172893331
N,4-dimethyl-N-[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171995291
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172882405
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171996483
3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine (CID 171998484) is N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine is Cc1ccnc(N(C)C2CCCN(Cc3ccccc3Br)C2)n1.
What is the InChIKey of N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is GNWNOEMDGZBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4/c1-14-9-10-20-18(21-14)22(2)16-7-5-11-23(13-16)12-15-6-3-4-8-17(15)19/h3-4,6,8-10,16H,5,7,11-13H2,1-2H3.
What are the key properties of N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 375.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171998484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).