2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde

C10H13ClN4O — CID 1475161

IUPAC2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde
SMILESNc1nc(Cl)c(C=O)c(N2CCCCC2)n1
InChIInChI=1S/C10H13ClN4O/c11-8-7(6-16)9(14-10(12)13-8)15-4-2-1-3-5-15/h6H,1-5H2,(H2,12,13,14)
InChIKeyNNTQTAQGKYJYSU-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.51
Rot. Bonds2

About 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde

2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde (PubChem CID 1475161) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde
PubChem CID1475161
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde
SMILESNc1nc(Cl)c(C=O)c(N2CCCCC2)n1
InChIInChI=1S/C10H13ClN4O/c11-8-7(6-16)9(14-10(12)13-8)15-4-2-1-3-5-15/h6H,1-5H2,(H2,12,13,14)
InChIKeyNNTQTAQGKYJYSU-UHFFFAOYSA-N
XLogP1.51
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.51
H-Bond Donors ≤ 51
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 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde (CID 1475161) is 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde is Nc1nc(Cl)c(C=O)c(N2CCCCC2)n1.
What is the InChIKey of 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
The InChIKey is NNTQTAQGKYJYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-8-7(6-16)9(14-10(12)13-8)15-4-2-1-3-5-15/h6H,1-5H2,(H2,12,13,14).
What are the key properties of 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde has a molecular weight of 240.69 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 1475161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).