4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde

C11H16ClN3O2 — CID 107318334

IUPAC4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCCCCCO)n1
InChIInChI=1S/C11H16ClN3O2/c1-8-14-10(12)9(7-17)11(15-8)13-5-3-2-4-6-16/h7,16H,2-6H2,1H3,(H,13,14,15)
InChIKeyTZUZTHDACHEYKZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.83
Rot. Bonds7

About 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde (PubChem CID 107318334) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde
PubChem CID107318334
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(NCCCCCO)n1
InChIInChI=1S/C11H16ClN3O2/c1-8-14-10(12)9(7-17)11(15-8)13-5-3-2-4-6-16/h7,16H,2-6H2,1H3,(H,13,14,15)
InChIKeyTZUZTHDACHEYKZ-UHFFFAOYSA-N
XLogP1.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde (CID 107318334) is 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(NCCCCCO)n1.
What is the InChIKey of 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is TZUZTHDACHEYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-8-14-10(12)9(7-17)11(15-8)13-5-3-2-4-6-16/h7,16H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 257.72 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-hydroxypentylamino)-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 107318334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).