4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C17H23BrN6 — CID 126878454

IUPAC4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCN(Cc3cncc(Br)c3)CC2)n1
InChIInChI=1S/C17H23BrN6/c1-23(2)17-20-6-3-16(22-17)21-15-4-7-24(8-5-15)12-13-9-14(18)11-19-10-13/h3,6,9-11,15H,4-5,7-8,12H2,1-2H3,(H,20,21,22)
InChIKeyFICMPPAACGXBCS-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.78
Rot. Bonds5

About 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 126878454) has the molecular formula C17H23BrN6 and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID126878454
Molecular FormulaC17H23BrN6
Molecular Weight391.32 g/mol
Exact Mass390.12
IUPAC Name4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2CCN(Cc3cncc(Br)c3)CC2)n1
InChIInChI=1S/C17H23BrN6/c1-23(2)17-20-6-3-16(22-17)21-15-4-7-24(8-5-15)12-13-9-14(18)11-19-10-13/h3,6,9-11,15H,4-5,7-8,12H2,1-2H3,(H,20,21,22)
InChIKeyFICMPPAACGXBCS-UHFFFAOYSA-N
XLogP2.78
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172902237
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-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172905850
2-N,2-N-dimethyl-4-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172900281
2-N,2-N-dimethyl-4-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172904111
4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 139013055
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
4-N-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901710
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
CID 115656855
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 126878454) is 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nccc(NC2CCN(Cc3cncc(Br)c3)CC2)n1.
What is the InChIKey of 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is FICMPPAACGXBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN6/c1-23(2)17-20-6-3-16(22-17)21-15-4-7-24(8-5-15)12-13-9-14(18)11-19-10-13/h3,6,9-11,15H,4-5,7-8,12H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 391.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 126878454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).