N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide

C17H23N7O2 — CID 121074709

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C)n(-c2cc(NCCNC(=O)C3CCC(=O)N3)nc(C)n2)n1
InChIInChI=1S/C17H23N7O2/c1-10-8-11(2)24(23-10)15-9-14(20-12(3)21-15)18-6-7-19-17(26)13-4-5-16(25)22-13/h8-9,13H,4-7H2,1-3H3,(H,19,26)(H,22,25)(H,18,20,21)
InChIKeyPBPXEAUBZYYSFQ-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.39
Rot. Bonds6

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 121074709) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID121074709
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C)n(-c2cc(NCCNC(=O)C3CCC(=O)N3)nc(C)n2)n1
InChIInChI=1S/C17H23N7O2/c1-10-8-11(2)24(23-10)15-9-14(20-12(3)21-15)18-6-7-19-17(26)13-4-5-16(25)22-13/h8-9,13H,4-7H2,1-3H3,(H,19,26)(H,22,25)(H,18,20,21)
InChIKeyPBPXEAUBZYYSFQ-UHFFFAOYSA-N
XLogP0.39
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 121072417
(2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 97040806
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121074472
(3S)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122290131
1-(3,5-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]urea
CID 121072691
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-carboxamide
CID 50947543
1-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-fluorophenyl)urea
CID 121072735
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-4-ethylbenzamide
CID 121072362
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122290089
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide
CID 121072353
1-(2,3-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]urea
CID 121072688
1-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 121072684

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide (CID 121074709) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(C)n(-c2cc(NCCNC(=O)C3CCC(=O)N3)nc(C)n2)n1.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PBPXEAUBZYYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-10-8-11(2)24(23-10)15-9-14(20-12(3)21-15)18-6-7-19-17(26)13-4-5-16(25)22-13/h8-9,13H,4-7H2,1-3H3,(H,19,26)(H,22,25)(H,18,20,21).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 121074709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).