1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine

C14H17BrN6O — CID 126564872

IUPAC1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine
SMILESCn1ccc(CON=C2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C14H17BrN6O/c1-20-5-2-13(18-20)10-22-19-12-3-6-21(7-4-12)14-16-8-11(15)9-17-14/h2,5,8-9H,3-4,6-7,10H2,1H3
InChIKeyIPYLRCOVUFJWCQ-UHFFFAOYSA-N
MW365.24 g/mol
LogP2.15
Rot. Bonds4

About 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine

1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine (PubChem CID 126564872) has the molecular formula C14H17BrN6O and a molecular weight of 365.24 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine
PubChem CID126564872
Molecular FormulaC14H17BrN6O
Molecular Weight365.24 g/mol
Exact Mass364.06
IUPAC Name1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine
SMILESCn1ccc(CON=C2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C14H17BrN6O/c1-20-5-2-13(18-20)10-22-19-12-3-6-21(7-4-12)14-16-8-11(15)9-17-14/h2,5,8-9H,3-4,6-7,10H2,1H3
InChIKeyIPYLRCOVUFJWCQ-UHFFFAOYSA-N
XLogP2.15
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine 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

1-(5-bromopyrimidin-2-yl)-N-(2-methoxyethoxy)piperidin-4-imine
CID 126561795
1-(5-bromopyrimidin-2-yl)-N-[3-methyl-3-(oxan-2-yloxy)butoxy]piperidin-4-imine
CID 126562083
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993726
1-[5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenyl]pyrimidin-2-yl]-N-[(1-methylpyrazol-3-yl)methoxy]azetidin-2-imine
CID 175068274
N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 82865579
1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 82866339
4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]butanenitrile
CID 47205925
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
3-bromo-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865662
1-[5-[(1-methylpyrazol-3-yl)methoxy]-3-pyridinyl]piperidin-4-amine
CID 82869732
5-bromo-2-[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
CID 59144822

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine (CID 126564872) is 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine is Cn1ccc(CON=C2CCN(c3ncc(Br)cn3)CC2)n1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine?
The InChIKey is IPYLRCOVUFJWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6O/c1-20-5-2-13(18-20)10-22-19-12-3-6-21(7-4-12)14-16-8-11(15)9-17-14/h2,5,8-9H,3-4,6-7,10H2,1H3.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine?
1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine has a molecular weight of 365.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-N-[(1-methylpyrazol-3-yl)methoxy]piperidin-4-imine is sourced from PubChem (CID 126564872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).