4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde

C12H13ClN4OS — CID 80725960

IUPAC4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde
SMILESCc1csc(C(C)Nc2nc(C)nc(Cl)c2C=O)n1
InChIInChI=1S/C12H13ClN4OS/c1-6-5-19-12(14-6)7(2)15-11-9(4-18)10(13)16-8(3)17-11/h4-5,7H,1-3H3,(H,15,16,17)
InChIKeyWYOFJPJCFXEJKL-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.19
Rot. Bonds4

About 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde (PubChem CID 80725960) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde
PubChem CID80725960
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde
SMILESCc1csc(C(C)Nc2nc(C)nc(Cl)c2C=O)n1
InChIInChI=1S/C12H13ClN4OS/c1-6-5-19-12(14-6)7(2)15-11-9(4-18)10(13)16-8(3)17-11/h4-5,7H,1-3H3,(H,15,16,17)
InChIKeyWYOFJPJCFXEJKL-UHFFFAOYSA-N
XLogP3.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-6-(1-thiophen-3-ylethylamino)pyrimidine-5-carbaldehyde
CID 80726659
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106811993
4-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 114177385
4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 80732783
2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 134710131
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
6-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 81006218
6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80845227
2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde
CID 87686562
4-chloro-2-methyl-6-[(1-propan-2-ylcyclopropyl)methylamino]pyrimidine-5-carbaldehyde
CID 114114412
4-chloro-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-5-carbaldehyde
CID 80725954
2-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917854

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde (CID 80725960) is 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde is Cc1csc(C(C)Nc2nc(C)nc(Cl)c2C=O)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde?
The InChIKey is WYOFJPJCFXEJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-6-5-19-12(14-6)7(2)15-11-9(4-18)10(13)16-8(3)17-11/h4-5,7H,1-3H3,(H,15,16,17).
What are the key properties of 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde has a molecular weight of 296.78 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80725960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).