1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide

C18H23N5O2 — CID 134795817

IUPAC1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCCC2C(=O)N(C)C)n1
InChIInChI=1S/C18H23N5O2/c1-22(2)17(24)14-8-6-12-23(14)18-19-11-10-16(21-18)20-13-7-4-5-9-15(13)25-3/h4-5,7,9-11,14H,6,8,12H2,1-3H3,(H,19,20,21)
InChIKeyHBFNZTIDEYNYNJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.29
Rot. Bonds5

About 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 134795817) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID134795817
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCCC2C(=O)N(C)C)n1
InChIInChI=1S/C18H23N5O2/c1-22(2)17(24)14-8-6-12-23(14)18-19-11-10-16(21-18)20-13-7-4-5-9-15(13)25-3/h4-5,7,9-11,14H,6,8,12H2,1-3H3,(H,19,20,21)
InChIKeyHBFNZTIDEYNYNJ-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide 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

[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134799523
(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134797747
(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134796519
N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134798017
N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134798498
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
(2S)-1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-(cycloheptylmethyl)pyrrolidine-2-carboxamide
CID 134800650
N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133290040
2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112900973
N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 45209149
N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133307077
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 134795817) is 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccccc1Nc1ccnc(N2CCCC2C(=O)N(C)C)n1.
What is the InChIKey of 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is HBFNZTIDEYNYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)17(24)14-8-6-12-23(14)18-19-11-10-16(21-18)20-13-7-4-5-9-15(13)25-3/h4-5,7,9-11,14H,6,8,12H2,1-3H3,(H,19,20,21).
What are the key properties of 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134795817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).