[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C18H22N4O — CID 109297753

IUPAC[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1cccc(C)c1Nc1nccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H22N4O/c1-3-14-8-6-7-13(2)16(14)21-18-19-10-9-15(20-18)17(23)22-11-4-5-12-22/h6-10H,3-5,11-12H2,1-2H3,(H,19,20,21)
InChIKeyOIVMAFXWHNOWRR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds4

About [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109297753) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109297753
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1cccc(C)c1Nc1nccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H22N4O/c1-3-14-8-6-7-13(2)16(14)21-18-19-10-9-15(20-18)17(23)22-11-4-5-12-22/h6-10H,3-5,11-12H2,1-2H3,(H,19,20,21)
InChIKeyOIVMAFXWHNOWRR-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249998
azepan-1-yl-[2-(2,6-difluoroanilino)pyrimidin-4-yl]methanone
CID 109313388
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109090740
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
N-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109301317
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305170
N-[3-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109297792
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109297753) is [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CCc1cccc(C)c1Nc1nccc(C(=O)N2CCCC2)n1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OIVMAFXWHNOWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-14-8-6-7-13(2)16(14)21-18-19-10-9-15(20-18)17(23)22-11-4-5-12-22/h6-10H,3-5,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109297753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).