2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde

C14H15N3O — CID 113387632

IUPAC2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
SMILESCCN(c1cccc(C)c1)c1ncc(C=O)cn1
InChIInChI=1S/C14H15N3O/c1-3-17(13-6-4-5-11(2)7-13)14-15-8-12(10-18)9-16-14/h4-10H,3H2,1-2H3
InChIKeyDURXSNFJORRSSE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.76
Rot. Bonds4

About 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde

2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde (PubChem CID 113387632) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
PubChem CID113387632
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
SMILESCCN(c1cccc(C)c1)c1ncc(C=O)cn1
InChIInChI=1S/C14H15N3O/c1-3-17(13-6-4-5-11(2)7-13)14-15-8-12(10-18)9-16-14/h4-10H,3H2,1-2H3
InChIKeyDURXSNFJORRSSE-UHFFFAOYSA-N
XLogP2.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Prt-060318
CID 11493841
Syk Inhibitor II
CID 9549296
2-Phenylpyrimidine-5-carbaldehyde
CID 820135
2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 1487911
2-(2-Aminoethylamino)-4-(m-tolylamino)pyrimidine-5-carboxamide
CID 9817349
2-(4-Aminobutylamino)-4-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxamide
CID 11710403
2-(2-Aminoethylamino)-4-(p-tolylamino)pyrimidine-5-carboxamide
CID 12017518
4-(3-methylanilino)-2-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-5-carboxamide
CID 56659303
2-(2-Aminoethylamino)-4-(o-tolylamino)pyrimidine-5-carboxamide
CID 15458391
2-(2-(Dimethylamino)ethylamino)-4-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxamide
CID 44565662
2-(2-Aminoethylamino)-4-(3-ethylphenylamino)pyrimidine-5-carboxamide
CID 44565756
2-(2-Aminoethylamino)-4-(3-isopropylphenylamino)pyrimidine-5-carboxamide
CID 44565782

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde (CID 113387632) is 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde is CCN(c1cccc(C)c1)c1ncc(C=O)cn1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde?
The InChIKey is DURXSNFJORRSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-17(13-6-4-5-11(2)7-13)14-15-8-12(10-18)9-16-14/h4-10H,3H2,1-2H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde?
2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 113387632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).