N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine

C18H23BrN4 — CID 171328729

IUPACN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(N(C)C2CCN(Cc3ccccc3Br)CC2)nc1
InChIInChI=1S/C18H23BrN4/c1-14-11-20-18(21-12-14)22(2)16-7-9-23(10-8-16)13-15-5-3-4-6-17(15)19/h3-6,11-12,16H,7-10,13H2,1-2H3
InChIKeyVVWVVZJBBBLXAV-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.65
Rot. Bonds4

About N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 171328729) has the molecular formula C18H23BrN4 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
PubChem CID171328729
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC NameN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(N(C)C2CCN(Cc3ccccc3Br)CC2)nc1
InChIInChI=1S/C18H23BrN4/c1-14-11-20-18(21-12-14)22(2)16-7-9-23(10-8-16)13-15-5-3-4-6-17(15)19/h3-6,11-12,16H,7-10,13H2,1-2H3
InChIKeyVVWVVZJBBBLXAV-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

N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328091
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981420
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328544
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998484
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349605
2-N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 171998805
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171336029
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328165
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
5-bromo-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328196
5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328197

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine (CID 171328729) is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine is Cc1cnc(N(C)C2CCN(Cc3ccccc3Br)CC2)nc1.
What is the InChIKey of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is VVWVVZJBBBLXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4/c1-14-11-20-18(21-12-14)22(2)16-7-9-23(10-8-16)13-15-5-3-4-6-17(15)19/h3-6,11-12,16H,7-10,13H2,1-2H3.
What are the key properties of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-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-4-yl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171328729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).