4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde

C11H16ClN3O — CID 66334529

IUPAC4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde
SMILESCCCCCN(C)c1ncnc(Cl)c1C=O
InChIInChI=1S/C11H16ClN3O/c1-3-4-5-6-15(2)11-9(7-16)10(12)13-8-14-11/h7-8H,3-6H2,1-2H3
InChIKeyDRZLNDUUGUTILB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.57
Rot. Bonds6

About 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde

4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 66334529) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde
PubChem CID66334529
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde
SMILESCCCCCN(C)c1ncnc(Cl)c1C=O
InChIInChI=1S/C11H16ClN3O/c1-3-4-5-6-15(2)11-9(7-16)10(12)13-8-14-11/h7-8H,3-6H2,1-2H3
InChIKeyDRZLNDUUGUTILB-UHFFFAOYSA-N
XLogP2.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde (CID 66334529) is 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde is CCCCCN(C)c1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is DRZLNDUUGUTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-4-5-6-15(2)11-9(7-16)10(12)13-8-14-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde?
4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 241.72 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66334529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).