4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde

C7H8ClN3O — CID 3436703

IUPAC4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde
SMILESCN(C)c1ncnc(Cl)c1C=O
InChIInChI=1S/C7H8ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h3-4H,1-2H3
InChIKeyRDLBBVSSNBKZOB-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.01
Rot. Bonds2

About 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde

4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde (PubChem CID 3436703) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde
PubChem CID3436703
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde
SMILESCN(C)c1ncnc(Cl)c1C=O
InChIInChI=1S/C7H8ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h3-4H,1-2H3
InChIKeyRDLBBVSSNBKZOB-UHFFFAOYSA-N
XLogP1.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde
CID 265546
4,6-Dichloro-5-pyrimidinecarbaldehyde
CID 819691
2,4,6-Trichloro-5-pyrimidinecarboxaldehyde
CID 10932746
5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-
CID 84230
2-Amino-4-chloro-6-(pyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CID 16227971
4,6-Dichloro-pyrimidine-5-carbonyl chloride
CID 12163360
4-Chloro-6-(methylamino)pyrimidine-5-carbaldehyde
CID 12278266
2,4-Dichloropyrimidine-5-carbaldehyde
CID 18983168
4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde
CID 23035630
4,6-Dichloro-2-(pyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CID 53485882
4-Chloro-6-morpholinopyrimidine-5-carbaldehyde
CID 3406180
4-Amino-2,6-dichloropyrimidine-5-carbaldehyde
CID 45790851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde (CID 3436703) is 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde is CN(C)c1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is RDLBBVSSNBKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-11(2)7-5(3-12)6(8)9-4-10-7/h3-4H,1-2H3.
What are the key properties of 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde?
4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 185.61 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(dimethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 3436703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).