4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde

C10H11ClN4O2 — CID 66366545

IUPAC4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NC1CCC(=O)NC1
InChIInChI=1S/C10H11ClN4O2/c11-9-7(4-16)10(14-5-13-9)15-6-1-2-8(17)12-3-6/h4-6H,1-3H2,(H,12,17)(H,13,14,15)
InChIKeyFUZNDCNAMBURQV-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.63
Rot. Bonds3

About 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde

4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde (PubChem CID 66366545) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde
PubChem CID66366545
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NC1CCC(=O)NC1
InChIInChI=1S/C10H11ClN4O2/c11-9-7(4-16)10(14-5-13-9)15-6-1-2-8(17)12-3-6/h4-6H,1-3H2,(H,12,17)(H,13,14,15)
InChIKeyFUZNDCNAMBURQV-UHFFFAOYSA-N
XLogP0.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde (CID 66366545) is 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1NC1CCC(=O)NC1.
What is the InChIKey of 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is FUZNDCNAMBURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c11-9-7(4-16)10(14-5-13-9)15-6-1-2-8(17)12-3-6/h4-6H,1-3H2,(H,12,17)(H,13,14,15).
What are the key properties of 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde?
4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 254.68 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(6-oxopiperidin-3-yl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66366545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).