6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C18H24BrN5 — CID 171998734

IUPAC6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCCN(Cc3ccc(Br)cc3)C2)ncn1
InChIInChI=1S/C18H24BrN5/c1-23(2)18-10-17(20-13-21-18)22-16-4-3-9-24(12-16)11-14-5-7-15(19)8-6-14/h5-8,10,13,16H,3-4,9,11-12H2,1-2H3,(H,20,21,22)
InChIKeyCNBHETQIBSYZCF-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.38
Rot. Bonds5

About 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 171998734) has the molecular formula C18H24BrN5 and a molecular weight of 390.33 g/mol. Its IUPAC name is 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID171998734
Molecular FormulaC18H24BrN5
Molecular Weight390.33 g/mol
Exact Mass389.12
IUPAC Name6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCCN(Cc3ccc(Br)cc3)C2)ncn1
InChIInChI=1S/C18H24BrN5/c1-23(2)18-10-17(20-13-21-18)22-16-4-3-9-24(12-16)11-14-5-7-15(19)8-6-14/h5-8,10,13,16H,3-4,9,11-12H2,1-2H3,(H,20,21,22)
InChIKeyCNBHETQIBSYZCF-UHFFFAOYSA-N
XLogP3.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998555
6-N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 172893220
6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998123
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
4-N,4-N-dimethyl-6-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 172881623
2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile
CID 172901514
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
6-N-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171999428
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 171996910
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
4-N,4-N-dimethyl-6-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171998479

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 171998734) is 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCCN(Cc3ccc(Br)cc3)C2)ncn1.
What is the InChIKey of 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is CNBHETQIBSYZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5/c1-23(2)18-10-17(20-13-21-18)22-16-4-3-9-24(12-16)11-14-5-7-15(19)8-6-14/h5-8,10,13,16H,3-4,9,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 390.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 171998734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).