4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde

C14H20ClN3O — CID 80732277

IUPAC4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCCN(c1nc(C)nc(Cl)c1C=O)C1CCCCC1
InChIInChI=1S/C14H20ClN3O/c1-3-18(11-7-5-4-6-8-11)14-12(9-19)13(15)16-10(2)17-14/h9,11H,3-8H2,1-2H3
InChIKeyQQUTXPQTZLRCOU-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.41
Rot. Bonds4

About 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde (PubChem CID 80732277) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde
PubChem CID80732277
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCCN(c1nc(C)nc(Cl)c1C=O)C1CCCCC1
InChIInChI=1S/C14H20ClN3O/c1-3-18(11-7-5-4-6-8-11)14-12(9-19)13(15)16-10(2)17-14/h9,11H,3-8H2,1-2H3
InChIKeyQQUTXPQTZLRCOU-UHFFFAOYSA-N
XLogP3.41
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde (CID 80732277) is 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde is CCN(c1nc(C)nc(Cl)c1C=O)C1CCCCC1.
What is the InChIKey of 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is QQUTXPQTZLRCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-18(11-7-5-4-6-8-11)14-12(9-19)13(15)16-10(2)17-14/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 281.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[cyclohexyl(ethyl)amino]-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).