4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

C17H24BrN5O — CID 172904535

IUPAC4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCCN(Cc3ccc(Br)o3)C2)n1
InChIInChI=1S/C17H24BrN5O/c1-21(2)17-19-9-8-16(20-17)22(3)13-5-4-10-23(11-13)12-14-6-7-15(18)24-14/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyLOSAXYHKZQFVMC-UHFFFAOYSA-N
MW394.32 g/mol
LogP3.00
Rot. Bonds5

About 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 172904535) has the molecular formula C17H24BrN5O and a molecular weight of 394.32 g/mol. Its IUPAC name is 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID172904535
Molecular FormulaC17H24BrN5O
Molecular Weight394.32 g/mol
Exact Mass393.12
IUPAC Name4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCCN(Cc3ccc(Br)o3)C2)n1
InChIInChI=1S/C17H24BrN5O/c1-21(2)17-19-9-8-16(20-17)22(3)13-5-4-10-23(11-13)12-14-6-7-15(18)24-14/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyLOSAXYHKZQFVMC-UHFFFAOYSA-N
XLogP3.00
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172893269
4-N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903582
N-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172903374
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
2-N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 171998805
4-N-[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172901957
4-N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172904984
4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126857010
3-[[3-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]piperidin-1-yl]methyl]benzonitrile
CID 172903180
4-N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172900849
4-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903250
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 172904535) is 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCCN(Cc3ccc(Br)o3)C2)n1.
What is the InChIKey of 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is LOSAXYHKZQFVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5O/c1-21(2)17-19-9-8-16(20-17)22(3)13-5-4-10-23(11-13)12-14-6-7-15(18)24-14/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 394.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 172904535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).