4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde

C11H10ClN3OS — CID 66368789

IUPAC4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde
SMILESCC(Nc1ncnc(Cl)c1C=O)c1cccs1
InChIInChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)15-11-8(5-16)10(12)13-6-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyYWSUKWOXJXHUMQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.18
Rot. Bonds4

About 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde

4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde (PubChem CID 66368789) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde
PubChem CID66368789
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde
SMILESCC(Nc1ncnc(Cl)c1C=O)c1cccs1
InChIInChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)15-11-8(5-16)10(12)13-6-14-11/h2-7H,1H3,(H,13,14,15)
InChIKeyYWSUKWOXJXHUMQ-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 106811735
4-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-5-carbaldehyde
CID 80527583
6-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-5-nitropyrimidin-4-amine
CID 62101194
4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 66366326
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 79756018
4-chloro-6-(3-methylanilino)pyrimidine-5-carbaldehyde
CID 66366113
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
4-chloro-6-[(4-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66366550
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
4-chloro-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrimidine-5-carbaldehyde
CID 79350606
4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde (CID 66368789) is 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde is CC(Nc1ncnc(Cl)c1C=O)c1cccs1.
What is the InChIKey of 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is YWSUKWOXJXHUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)15-11-8(5-16)10(12)13-6-14-11/h2-7H,1H3,(H,13,14,15).
What are the key properties of 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde?
4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 267.74 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-thiophen-2-ylethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66368789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).