[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C19H25N5O — CID 109249349

IUPAC[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C19H25N5O/c1-3-23(4-2)17-9-7-16(8-10-17)22-19-20-13-15(14-21-19)18(25)24-11-5-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,20,21,22)
InChIKeyFYSBYGKYLYDJTJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.30
Rot. Bonds6

About [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109249349) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID109249349
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C19H25N5O/c1-3-23(4-2)17-9-7-16(8-10-17)22-19-20-13-15(14-21-19)18(25)24-11-5-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,20,21,22)
InChIKeyFYSBYGKYLYDJTJ-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone 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

4-[2-[4-(diethylamino)anilino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254421
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249311
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321867
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109247409
N-[4-[[5-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109254112
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250070

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 109249349) is [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is CCN(CC)c1ccc(Nc2ncc(C(=O)N3CCCC3)cn2)cc1.
What is the InChIKey of [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FYSBYGKYLYDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-23(4-2)17-9-7-16(8-10-17)22-19-20-13-15(14-21-19)18(25)24-11-5-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109249349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).