2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide

C19H26N6O2 — CID 133269417

IUPAC2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide
SMILESCc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NC2CC(C)NN2)c1
InChIInChI=1S/C19H26N6O2/c1-11-5-12(2)7-15(6-11)21-19-20-13(3)9-18(27)25(19)10-17(26)22-16-8-14(4)23-24-16/h5-7,9,14,16,23-24H,8,10H2,1-4H3,(H,20,21)(H,22,26)
InChIKeyPUFMRSNYSJGIKG-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.24
Rot. Bonds5

About 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide

2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide (PubChem CID 133269417) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide
PubChem CID133269417
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide
SMILESCc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NC2CC(C)NN2)c1
InChIInChI=1S/C19H26N6O2/c1-11-5-12(2)7-15(6-11)21-19-20-13(3)9-18(27)25(19)10-17(26)22-16-8-14(4)23-24-16/h5-7,9,14,16,23-24H,8,10H2,1-4H3,(H,20,21)(H,22,26)
InChIKeyPUFMRSNYSJGIKG-UHFFFAOYSA-N
XLogP1.24
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 50928548
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728
N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364699
2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53201949
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201917
N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201962
3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide
CID 75267874
N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201963
N-(1,3-benzodioxol-5-yl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201891
2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 51530431

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide (CID 133269417) is 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide is Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NC2CC(C)NN2)c1.
What is the InChIKey of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide?
The InChIKey is PUFMRSNYSJGIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-11-5-12(2)7-15(6-11)21-19-20-13(3)9-18(27)25(19)10-17(26)22-16-8-14(4)23-24-16/h5-7,9,14,16,23-24H,8,10H2,1-4H3,(H,20,21)(H,22,26).
What are the key properties of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide?
2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide has a molecular weight of 370.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methylpyrazolidin-3-yl)acetamide is sourced from PubChem (CID 133269417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).