[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C20H25N5O2 — CID 134799523

IUPAC[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)N2CCCC2)n1
InChIInChI=1S/C20H25N5O2/c1-27-17-9-3-2-7-15(17)22-18-10-11-21-20(23-18)25-14-6-8-16(25)19(26)24-12-4-5-13-24/h2-3,7,9-11,16H,4-6,8,12-14H2,1H3,(H,21,22,23)/t16-/m0/s1
InChIKeyIMVGTQIABPUYEY-INIZCTEOSA-N
MW367.45 g/mol
LogP2.82
Rot. Bonds5

About [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134799523) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134799523
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)N2CCCC2)n1
InChIInChI=1S/C20H25N5O2/c1-27-17-9-3-2-7-15(17)22-18-10-11-21-20(23-18)25-14-6-8-16(25)19(26)24-12-4-5-13-24/h2-3,7,9-11,16H,4-6,8,12-14H2,1H3,(H,21,22,23)/t16-/m0/s1
InChIKeyIMVGTQIABPUYEY-INIZCTEOSA-N
XLogP2.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134795817
(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
(4-benzylpiperazin-1-yl)-[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidin-2-yl]methanone
CID 134795876
(4-benzylpiperidin-1-yl)-[1-[4-(4-methylanilino)pyrimidin-2-yl]pyrrolidin-2-yl]methanone
CID 134797340
2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112900973
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 134799523) is [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)N2CCCC2)n1.
What is the InChIKey of [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IMVGTQIABPUYEY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-17-9-3-2-7-15(17)22-18-10-11-21-20(23-18)25-14-6-8-16(25)19(26)24-12-4-5-13-24/h2-3,7,9-11,16H,4-6,8,12-14H2,1H3,(H,21,22,23)/t16-/m0/s1.
What are the key properties of [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134799523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).