(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide

C19H25N5O2 — CID 134797747

IUPAC(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)NC(C)C)n1
InChIInChI=1S/C19H25N5O2/c1-13(2)21-18(25)15-8-6-12-24(15)19-20-11-10-17(23-19)22-14-7-4-5-9-16(14)26-3/h4-5,7,9-11,13,15H,6,8,12H2,1-3H3,(H,21,25)(H,20,22,23)/t15-/m0/s1
InChIKeyJDLDFZDKRYQWJA-HNNXBMFYSA-N
MW355.44 g/mol
LogP2.72
Rot. Bonds6

About (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 134797747) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID134797747
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)NC(C)C)n1
InChIInChI=1S/C19H25N5O2/c1-13(2)21-18(25)15-8-6-12-24(15)19-20-11-10-17(23-19)22-14-7-4-5-9-16(14)26-3/h4-5,7,9-11,13,15H,6,8,12H2,1-3H3,(H,21,25)(H,20,22,23)/t15-/m0/s1
InChIKeyJDLDFZDKRYQWJA-HNNXBMFYSA-N
XLogP2.72
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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
1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134795817
[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134799523
(2S)-1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-(cycloheptylmethyl)pyrrolidine-2-carboxamide
CID 134800650
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
1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 134797703
N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133307077
N-[(3-chlorophenyl)methyl]-1-[4-(2-fluoroanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134799251
(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 54991238
2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112900973

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 134797747) is (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide is COc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)NC(C)C)n1.
What is the InChIKey of (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is JDLDFZDKRYQWJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(2)21-18(25)15-8-6-12-24(15)19-20-11-10-17(23-19)22-14-7-4-5-9-16(14)26-3/h4-5,7,9-11,13,15H,6,8,12H2,1-3H3,(H,21,25)(H,20,22,23)/t15-/m0/s1.
What are the key properties of (2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 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]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134797747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).