1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde

C11H15FN4O — CID 142820956

IUPAC1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde
SMILESNc1ncc(CN2CCC(F)(C=O)CC2)cn1
InChIInChI=1S/C11H15FN4O/c12-11(8-17)1-3-16(4-2-11)7-9-5-14-10(13)15-6-9/h5-6,8H,1-4,7H2,(H2,13,14,15)
InChIKeyXFEOMNAEJJMTOX-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.56
Rot. Bonds3

About 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde

1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde (PubChem CID 142820956) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde
PubChem CID142820956
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde
SMILESNc1ncc(CN2CCC(F)(C=O)CC2)cn1
InChIInChI=1S/C11H15FN4O/c12-11(8-17)1-3-16(4-2-11)7-9-5-14-10(13)15-6-9/h5-6,8H,1-4,7H2,(H2,13,14,15)
InChIKeyXFEOMNAEJJMTOX-UHFFFAOYSA-N
XLogP0.56
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde 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-Bromo-2-pyrimidinyl)-4-piperidinecarboxamide
CID 46907712
2-Piperidin-1-yl-pyrimidine-5-carbaldehyde
CID 3160977
1-(Pyrimidin-2-yl)piperidine-4-carbaldehyde
CID 62664150
4-(5-Fluoro-2-pyrimidinyl)-1-piperazinebutanal
CID 15729899
1-(5-Fluoro-2-pyrimidinyl)-4-piperidinecarbaldehyde
CID 86638747
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 104606097
1-(6-Amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
CID 134198142
3,3-Difluoro-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carbaldehyde
CID 134554647
5-[[4-(Aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine
CID 143495826
2-[1-[5-(Trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]acetaldehyde
CID 145645348
[4-fluoro-4-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 148312632
Methyl 1-(4-amino-5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 162376349

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde?
The IUPAC name of 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde (CID 142820956) is 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde?
The canonical SMILES for 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde is Nc1ncc(CN2CCC(F)(C=O)CC2)cn1.
What is the InChIKey of 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde?
The InChIKey is XFEOMNAEJJMTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-11(8-17)1-3-16(4-2-11)7-9-5-14-10(13)15-6-9/h5-6,8H,1-4,7H2,(H2,13,14,15).
What are the key properties of 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde?
1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde has a molecular weight of 238.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde is sourced from PubChem (CID 142820956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).